4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylquinoline;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine

C78H89F5N22 — CID 157084923

IUPAC4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylquinoline;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc6cccnc56)cnn4c3)CC2)CC1.Cc1cc(-c2cnn3cc(N4CCC(N5CCN(C)CC(F)(F)C5)CC4)cnc23)c2ccccc2n1.Cc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC(F)(F)C6)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C27H30F3N7.C27H31F2N7.C24H28N8/c1-18-11-22-21(3-6-31-25(22)12-24(18)28)23-14-33-37-15-20(13-32-26(23)37)35-7-4-19(5-8-35)36-10-9-34(2)16-27(29,30)17-36;1-19-13-23(22-5-3-4-6-25(22)32-19)24-15-31-36-16-21(14-30-26(24)36)34-9-7-20(8-10-34)35-12-11-33(2)17-27(28,29)18-35;1-29-11-13-31(14-12-29)18-5-9-30(10-6-18)19-15-27-24-21(16-28-32(24)17-19)20-4-8-25-22-3-2-7-26-23(20)22/h3,6,11-15,19H,4-5,7-10,16-17H2,1-2H3;3-6,13-16,20H,7-12,17-18H2,1-2H3;2-4,7-8,15-18H,5-6,9-14H2,1H3
InChIKeyADZCUGNPPDWLCM-UHFFFAOYSA-N
MW1429.71 g/mol
LogP10.90
Rot. Bonds9

About 4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylquinoline;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine

4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylquinoline;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine (PubChem CID 157084923) has the molecular formula C78H89F5N22 and a molecular weight of 1429.71 g/mol. Its IUPAC name is 4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylquinoline;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylquinoline;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine
PubChem CID157084923
Molecular FormulaC78H89F5N22
Molecular Weight1429.71 g/mol
Exact Mass1428.76
IUPAC Name4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylquinoline;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc6cccnc56)cnn4c3)CC2)CC1.Cc1cc(-c2cnn3cc(N4CCC(N5CCN(C)CC(F)(F)C5)CC4)cnc23)c2ccccc2n1.Cc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC(F)(F)C6)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C27H30F3N7.C27H31F2N7.C24H28N8/c1-18-11-22-21(3-6-31-25(22)12-24(18)28)23-14-33-37-15-20(13-32-26(23)37)35-7-4-19(5-8-35)36-10-9-34(2)16-27(29,30)17-36;1-19-13-23(22-5-3-4-6-25(22)32-19)24-15-31-36-16-21(14-30-26(24)36)34-9-7-20(8-10-34)35-12-11-33(2)17-27(28,29)18-35;1-29-11-13-31(14-12-29)18-5-9-30(10-6-18)19-15-27-24-21(16-28-32(24)17-19)20-4-8-25-22-3-2-7-26-23(20)22/h3,6,11-15,19H,4-5,7-10,16-17H2,1-2H3;3-6,13-16,20H,7-12,17-18H2,1-2H3;2-4,7-8,15-18H,5-6,9-14H2,1H3
InChIKeyADZCUGNPPDWLCM-UHFFFAOYSA-N
XLogP10.90
TPSA171.29 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds9
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001429.71
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylquinoline;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine with MolForge

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Related Compounds

6-((6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)methyl)quinoline
CID 44206063
4-[6-[4-(4-Methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 60182364
6-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24851730
6-[Difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 57338725
6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 59341847
6-[[8-Fluoro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline
CID 71666369
c-Met-IN-2
CID 134694986
3-(1-Methylpyrazol-4-yl)-6-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 137640338
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
5,7-Difluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 141370291
6-[Difluoro-[6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 127045833
7-Fluoro-3-(1-methylpyrazol-4-yl)-6-[1-(5-pyridin-4-yltriazolo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 137632523

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylquinoline;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine?
The IUPAC name of 4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylquinoline;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine (CID 157084923) is 4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylquinoline;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine.
What is the SMILES notation for 4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylquinoline;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine?
The canonical SMILES for 4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylquinoline;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine is CN1CCN(C2CCN(c3cnc4c(-c5ccnc6cccnc56)cnn4c3)CC2)CC1.Cc1cc(-c2cnn3cc(N4CCC(N5CCN(C)CC(F)(F)C5)CC4)cnc23)c2ccccc2n1.Cc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC(F)(F)C6)CC5)cnc34)ccnc2cc1F.
What is the InChIKey of 4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylquinoline;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine?
The InChIKey is ADZCUGNPPDWLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N7.C27H31F2N7.C24H28N8/c1-18-11-22-21(3-6-31-25(22)12-24(18)28)23-14-33-37-15-20(13-32-26(23)37)35-7-4-19(5-8-35)36-10-9-34(2)16-27(29,30)17-36;1-19-13-23(22-5-3-4-6-25(22)32-19)24-15-31-36-16-21(14-30-26(24)36)34-9-7-20(8-10-34)35-12-11-33(2)17-27(28,29)18-35;1-29-11-13-31(14-12-29)18-5-9-30(10-6-18)19-15-27-24-21(16-28-32(24)17-19)20-4-8-25-22-3-2-7-26-23(20)22/h3,6,11-15,19H,4-5,7-10,16-17H2,1-2H3;3-6,13-16,20H,7-12,17-18H2,1-2H3;2-4,7-8,15-18H,5-6,9-14H2,1H3.
What are the key properties of 4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylquinoline;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine?
4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylquinoline;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine has a molecular weight of 1429.71 g/mol, XLogP of 10.90, 9 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylquinoline;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine is sourced from PubChem (CID 157084923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).