1-[3-[4-(1-methylpyrazol-4-yl)-2-propan-2-ylanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C25H32N6O2 — CID 121373362

IUPAC1-[3-[4-(1-methylpyrazol-4-yl)-2-propan-2-ylanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3C(C)C)nn2C2CCOC2)C1
InChIInChI=1S/C25H32N6O2/c1-16(2)21-11-18(19-12-26-29(4)13-19)5-6-23(21)27-25-22-14-30(17(3)32)9-7-24(22)31(28-25)20-8-10-33-15-20/h5-6,11-13,16,20H,7-10,14-15H2,1-4H3,(H,27,28)
InChIKeySOHSNMIGNJANLI-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.02
Rot. Bonds5

About 1-[3-[4-(1-methylpyrazol-4-yl)-2-propan-2-ylanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-[4-(1-methylpyrazol-4-yl)-2-propan-2-ylanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121373362) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-[3-[4-(1-methylpyrazol-4-yl)-2-propan-2-ylanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(1-methylpyrazol-4-yl)-2-propan-2-ylanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121373362
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name1-[3-[4-(1-methylpyrazol-4-yl)-2-propan-2-ylanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3C(C)C)nn2C2CCOC2)C1
InChIInChI=1S/C25H32N6O2/c1-16(2)21-11-18(19-12-26-29(4)13-19)5-6-23(21)27-25-22-14-30(17(3)32)9-7-24(22)31(28-25)20-8-10-33-15-20/h5-6,11-13,16,20H,7-10,14-15H2,1-4H3,(H,27,28)
InChIKeySOHSNMIGNJANLI-UHFFFAOYSA-N
XLogP4.02
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-[4-(1-methylpyrazol-4-yl)-2-propan-2-ylanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

1-[3-[[2-Fluoranyl-4-(1-Methylpyrazol-4-Yl)phenyl]amino]-1-[(3~{s})-Oxolan-3-Yl]-6,7-Dihydro-4~{h}-Pyrazolo[4,3-C]pyridin-5-Yl]ethanone
CID 121372887
1-{3-[6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
CID 121372939
rel-VU6021625
CID 156493833
1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
CID 132451787
1-[(1S,3aR,9bS)-3-(2-methoxyethyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-1-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 155551163
US10323022, Example 445
CID 118148480
1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121365442
1-[3-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372914
1-[1-(cyclopropylmethyl)-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372990
1-[1-(cyclopropylmethyl)-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373027
1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373032
1-[1-(cyclopropylmethyl)-3-[3-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373156

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(1-methylpyrazol-4-yl)-2-propan-2-ylanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-[4-(1-methylpyrazol-4-yl)-2-propan-2-ylanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121373362) is 1-[3-[4-(1-methylpyrazol-4-yl)-2-propan-2-ylanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-[4-(1-methylpyrazol-4-yl)-2-propan-2-ylanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-[4-(1-methylpyrazol-4-yl)-2-propan-2-ylanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3C(C)C)nn2C2CCOC2)C1.
What is the InChIKey of 1-[3-[4-(1-methylpyrazol-4-yl)-2-propan-2-ylanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is SOHSNMIGNJANLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-16(2)21-11-18(19-12-26-29(4)13-19)5-6-23(21)27-25-22-14-30(17(3)32)9-7-24(22)31(28-25)20-8-10-33-15-20/h5-6,11-13,16,20H,7-10,14-15H2,1-4H3,(H,27,28).
What are the key properties of 1-[3-[4-(1-methylpyrazol-4-yl)-2-propan-2-ylanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-[4-(1-methylpyrazol-4-yl)-2-propan-2-ylanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 448.57 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(1-methylpyrazol-4-yl)-2-propan-2-ylanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121373362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).