1-[1-(cyclopropylmethyl)-3-[3-(4-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1,2-oxazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C110H123FN26O6 — CID 160926101

IUPAC1-[1-(cyclopropylmethyl)-3-[3-(4-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1,2-oxazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(-c4ccc(F)cc4)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4ccn[nH]4)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4ccnn4C)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cnoc4)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(C4=CCN=C4)c3)nn2CC2CC2)C1
InChIInChI=1S/C24H25FN4O.C22H26N6O.C22H25N5O.C21H24N6O.C21H23N5O2/c1-16(30)28-12-11-23-22(15-28)24(27-29(23)14-17-5-6-17)26-21-4-2-3-19(13-21)18-7-9-20(25)10-8-18;1-15(29)27-11-9-21-19(14-27)22(25-28(21)13-16-6-7-16)24-18-5-3-4-17(12-18)20-8-10-23-26(20)2;1-15(28)26-10-8-21-20(14-26)22(25-27(21)13-16-5-6-16)24-19-4-2-3-17(11-19)18-7-9-23-12-18;1-14(28)26-10-8-20-18(13-26)21(25-27(20)12-15-5-6-15)23-17-4-2-3-16(11-17)19-7-9-22-24-19;1-14(27)25-8-7-20-19(12-25)21(24-26(20)11-15-5-6-15)23-18-4-2-3-16(9-18)17-10-22-28-13-17/h2-4,7-10,13,17H,5-6,11-12,14-15H2,1H3,(H,26,27);3-5,8,10,12,16H,6-7,9,11,13-14H2,1-2H3,(H,24,25);2-4,7,11-12,16H,5-6,8-10,13-14H2,1H3,(H,24,25);2-4,7,9,11,15H,5-6,8,10,12-13H2,1H3,(H,22,24)(H,23,25);2-4,9-10,13,15H,5-8,11-12H2,1H3,(H,23,24)
InChIKeySSQSFJANEHQZLC-UHFFFAOYSA-N
MW1924.37 g/mol
LogP18.43
Rot. Bonds25

About 1-[1-(cyclopropylmethyl)-3-[3-(4-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1,2-oxazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-(cyclopropylmethyl)-3-[3-(4-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1,2-oxazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 160926101) has the molecular formula C110H123FN26O6 and a molecular weight of 1924.37 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-3-[3-(4-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1,2-oxazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-3-[3-(4-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1,2-oxazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID160926101
Molecular FormulaC110H123FN26O6
Molecular Weight1924.37 g/mol
Exact Mass1923.01
IUPAC Name1-[1-(cyclopropylmethyl)-3-[3-(4-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1,2-oxazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(-c4ccc(F)cc4)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4ccn[nH]4)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4ccnn4C)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cnoc4)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(C4=CCN=C4)c3)nn2CC2CC2)C1
InChIInChI=1S/C24H25FN4O.C22H26N6O.C22H25N5O.C21H24N6O.C21H23N5O2/c1-16(30)28-12-11-23-22(15-28)24(27-29(23)14-17-5-6-17)26-21-4-2-3-19(13-21)18-7-9-20(25)10-8-18;1-15(29)27-11-9-21-19(14-27)22(25-28(21)13-16-6-7-16)24-18-5-3-4-17(12-18)20-8-10-23-26(20)2;1-15(28)26-10-8-21-20(14-26)22(25-27(21)13-16-5-6-16)24-19-4-2-3-17(11-19)18-7-9-23-12-18;1-14(28)26-10-8-20-18(13-26)21(25-27(20)12-15-5-6-15)23-17-4-2-3-16(11-17)19-7-9-22-24-19;1-14(27)25-8-7-20-19(12-25)21(24-26(20)11-15-5-6-15)23-18-4-2-3-16(9-18)17-10-22-28-13-17/h2-4,7-10,13,17H,5-6,11-12,14-15H2,1H3,(H,26,27);3-5,8,10,12,16H,6-7,9,11,13-14H2,1-2H3,(H,24,25);2-4,7,11-12,16H,5-6,8-10,13-14H2,1H3,(H,24,25);2-4,7,9,11,15H,5-6,8,10,12-13H2,1H3,(H,22,24)(H,23,25);2-4,9-10,13,15H,5-8,11-12H2,1H3,(H,23,24)
InChIKeySSQSFJANEHQZLC-UHFFFAOYSA-N
XLogP18.43
TPSA335.69 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001924.37
LogP ≤ 518.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 1-[1-(cyclopropylmethyl)-3-[3-(4-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1,2-oxazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-3-[3-(4-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1,2-oxazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-(cyclopropylmethyl)-3-[3-(4-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1,2-oxazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 160926101) is 1-[1-(cyclopropylmethyl)-3-[3-(4-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1,2-oxazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-3-[3-(4-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1,2-oxazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-3-[3-(4-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1,2-oxazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3cccc(-c4ccc(F)cc4)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4ccn[nH]4)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4ccnn4C)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cnoc4)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(C4=CCN=C4)c3)nn2CC2CC2)C1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-3-[3-(4-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1,2-oxazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is SSQSFJANEHQZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O.C22H26N6O.C22H25N5O.C21H24N6O.C21H23N5O2/c1-16(30)28-12-11-23-22(15-28)24(27-29(23)14-17-5-6-17)26-21-4-2-3-19(13-21)18-7-9-20(25)10-8-18;1-15(29)27-11-9-21-19(14-27)22(25-28(21)13-16-6-7-16)24-18-5-3-4-17(12-18)20-8-10-23-26(20)2;1-15(28)26-10-8-21-20(14-26)22(25-27(21)13-16-5-6-16)24-19-4-2-3-17(11-19)18-7-9-23-12-18;1-14(28)26-10-8-20-18(13-26)21(25-27(20)12-15-5-6-15)23-17-4-2-3-16(11-17)19-7-9-22-24-19;1-14(27)25-8-7-20-19(12-25)21(24-26(20)11-15-5-6-15)23-18-4-2-3-16(9-18)17-10-22-28-13-17/h2-4,7-10,13,17H,5-6,11-12,14-15H2,1H3,(H,26,27);3-5,8,10,12,16H,6-7,9,11,13-14H2,1-2H3,(H,24,25);2-4,7,11-12,16H,5-6,8-10,13-14H2,1H3,(H,24,25);2-4,7,9,11,15H,5-6,8,10,12-13H2,1H3,(H,22,24)(H,23,25);2-4,9-10,13,15H,5-8,11-12H2,1H3,(H,23,24).
What are the key properties of 1-[1-(cyclopropylmethyl)-3-[3-(4-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1,2-oxazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-(cyclopropylmethyl)-3-[3-(4-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1,2-oxazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 1924.37 g/mol, XLogP of 18.43, 25 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-3-[3-(4-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1,2-oxazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 160926101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).