1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;1-[4-[4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)piperazin-1-yl]piperidin-1-yl]ethanone

C94H103FN26O — CID 157441105

IUPAC1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;1-[4-[4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)piperazin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCN(c3cnc4c(-c5ccnc6ccccc56)cnn4c3)CC2)CC1.Cc1cc(-c2cnn3cc(N4CCC(N)CC4)cnc23)c2ccccc2n1.Cc1cc2c(-c3cnn4cc(N5CCC(N)CC5)cnc34)ccnc2cc1F.Cc1ccc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1
InChIInChI=1S/C26H29N7O.C26H31N7.C21H21FN6.C21H22N6/c1-19(34)30-10-7-20(8-11-30)31-12-14-32(15-13-31)21-16-28-26-24(17-29-33(26)18-21)22-6-9-27-25-5-3-2-4-23(22)25;1-19-3-4-25-23(15-19)22(5-8-27-25)24-17-29-33-18-21(16-28-26(24)33)31-9-6-20(7-10-31)32-13-11-30(2)12-14-32;1-13-8-17-16(2-5-24-20(17)9-19(13)22)18-11-26-28-12-15(10-25-21(18)28)27-6-3-14(23)4-7-27;1-14-10-18(17-4-2-3-5-20(17)25-14)19-12-24-27-13-16(11-23-21(19)27)26-8-6-15(22)7-9-26/h2-6,9,16-18,20H,7-8,10-15H2,1H3;3-5,8,15-18,20H,6-7,9-14H2,1-2H3;2,5,8-12,14H,3-4,6-7,23H2,1H3;2-5,10-13,15H,6-9,22H2,1H3
InChIKeyBRRKHZOVPZFBCJ-UHFFFAOYSA-N
MW1632.04 g/mol
LogP13.05
Rot. Bonds10

About 1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;1-[4-[4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)piperazin-1-yl]piperidin-1-yl]ethanone

1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;1-[4-[4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)piperazin-1-yl]piperidin-1-yl]ethanone (PubChem CID 157441105) has the molecular formula C94H103FN26O and a molecular weight of 1632.04 g/mol. Its IUPAC name is 1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;1-[4-[4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)piperazin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;1-[4-[4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)piperazin-1-yl]piperidin-1-yl]ethanone
PubChem CID157441105
Molecular FormulaC94H103FN26O
Molecular Weight1632.04 g/mol
Exact Mass1630.88
IUPAC Name1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;1-[4-[4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)piperazin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCN(c3cnc4c(-c5ccnc6ccccc56)cnn4c3)CC2)CC1.Cc1cc(-c2cnn3cc(N4CCC(N)CC4)cnc23)c2ccccc2n1.Cc1cc2c(-c3cnn4cc(N5CCC(N)CC5)cnc34)ccnc2cc1F.Cc1ccc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1
InChIInChI=1S/C26H29N7O.C26H31N7.C21H21FN6.C21H22N6/c1-19(34)30-10-7-20(8-11-30)31-12-14-32(15-13-31)21-16-28-26-24(17-29-33(26)18-21)22-6-9-27-25-5-3-2-4-23(22)25;1-19-3-4-25-23(15-19)22(5-8-27-25)24-17-29-33-18-21(16-28-26(24)33)31-9-6-20(7-10-31)32-13-11-30(2)12-14-32;1-13-8-17-16(2-5-24-20(17)9-19(13)22)18-11-26-28-12-15(10-25-21(18)28)27-6-3-14(23)4-7-27;1-14-10-18(17-4-2-3-5-20(17)25-14)19-12-24-27-13-16(11-23-21(19)27)26-8-6-15(22)7-9-26/h2-6,9,16-18,20H,7-8,10-15H2,1H3;3-5,8,15-18,20H,6-7,9-14H2,1-2H3;2,5,8-12,14H,3-4,6-7,23H2,1H3;2-5,10-13,15H,6-9,22H2,1H3
InChIKeyBRRKHZOVPZFBCJ-UHFFFAOYSA-N
XLogP13.05
TPSA267.35 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds10
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001632.04
LogP ≤ 513.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze 1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;1-[4-[4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)piperazin-1-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-3-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11238677
N-[1-[1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11250445
N-[1-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11250446
N-[1-[1-[(3,5-difluorophenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11411030
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11478841
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11478962
7-(2-Fluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836539
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
7-[2,6-difluoro-4-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837301
2-fluoro-N-methyl-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide
CID 137644947
7-Fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 137645348
N-[1-[1-[(3-fluorophenyl)methyl]-5-methylimidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 72190778

Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;1-[4-[4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)piperazin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;1-[4-[4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)piperazin-1-yl]piperidin-1-yl]ethanone (CID 157441105) is 1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;1-[4-[4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)piperazin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;1-[4-[4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)piperazin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;1-[4-[4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)piperazin-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(N2CCN(c3cnc4c(-c5ccnc6ccccc56)cnn4c3)CC2)CC1.Cc1cc(-c2cnn3cc(N4CCC(N)CC4)cnc23)c2ccccc2n1.Cc1cc2c(-c3cnn4cc(N5CCC(N)CC5)cnc34)ccnc2cc1F.Cc1ccc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1.
What is the InChIKey of 1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;1-[4-[4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)piperazin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is BRRKHZOVPZFBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O.C26H31N7.C21H21FN6.C21H22N6/c1-19(34)30-10-7-20(8-11-30)31-12-14-32(15-13-31)21-16-28-26-24(17-29-33(26)18-21)22-6-9-27-25-5-3-2-4-23(22)25;1-19-3-4-25-23(15-19)22(5-8-27-25)24-17-29-33-18-21(16-28-26(24)33)31-9-6-20(7-10-31)32-13-11-30(2)12-14-32;1-13-8-17-16(2-5-24-20(17)9-19(13)22)18-11-26-28-12-15(10-25-21(18)28)27-6-3-14(23)4-7-27;1-14-10-18(17-4-2-3-5-20(17)25-14)19-12-24-27-13-16(11-23-21(19)27)26-8-6-15(22)7-9-26/h2-6,9,16-18,20H,7-8,10-15H2,1H3;3-5,8,15-18,20H,6-7,9-14H2,1-2H3;2,5,8-12,14H,3-4,6-7,23H2,1H3;2-5,10-13,15H,6-9,22H2,1H3.
What are the key properties of 1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;1-[4-[4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)piperazin-1-yl]piperidin-1-yl]ethanone?
1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;1-[4-[4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)piperazin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 1632.04 g/mol, XLogP of 13.05, 10 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;1-[4-[4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)piperazin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 157441105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).