N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine

C28H31FN6O — CID 10277876

IUPACN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine
SMILESCOc1cc(NC2CCCC2)n2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCC4)n3)c2c1
InChIInChI=1S/C28H31FN6O/c1-36-22-16-24-26(23-14-15-30-28(33-23)32-21-8-4-5-9-21)27(18-10-12-19(29)13-11-18)34-35(24)25(17-22)31-20-6-2-3-7-20/h10-17,20-21,31H,2-9H2,1H3,(H,30,32,33)
InChIKeyPXFIELOSJDWIRS-UHFFFAOYSA-N
MW486.60 g/mol
LogP6.32
Rot. Bonds7

About N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine

N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine (PubChem CID 10277876) has the molecular formula C28H31FN6O and a molecular weight of 486.60 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine
PubChem CID10277876
Molecular FormulaC28H31FN6O
Molecular Weight486.60 g/mol
Exact Mass486.25
IUPAC NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine
SMILESCOc1cc(NC2CCCC2)n2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCC4)n3)c2c1
InChIInChI=1S/C28H31FN6O/c1-36-22-16-24-26(23-14-15-30-28(33-23)32-21-8-4-5-9-21)27(18-10-12-19(29)13-11-18)34-35(24)25(17-22)31-20-6-2-3-7-20/h10-17,20-21,31H,2-9H2,1H3,(H,30,32,33)
InChIKeyPXFIELOSJDWIRS-UHFFFAOYSA-N
XLogP6.32
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.60
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pexacerfont
CID 9884366
Taletrectinib
CID 72202474
Mak-683
CID 121412508
N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
Bms-932481
CID 91844660
Sgc-clk-1
CID 6539389
3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 56835771
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
Pyrazolopyridazine 1
CID 6539361
Pyrazolo[1,5-b]pyridazine deriv. 33
CID 6539375
Pyrazolo[1,5-b]pyridazine deriv. 43
CID 6539385
Pyrazolo[1,5-b]pyridazine deriv. 69
CID 6539411

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine?
The IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine (CID 10277876) is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine is COc1cc(NC2CCCC2)n2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCC4)n3)c2c1.
What is the InChIKey of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine?
The InChIKey is PXFIELOSJDWIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN6O/c1-36-22-16-24-26(23-14-15-30-28(33-23)32-21-8-4-5-9-21)27(18-10-12-19(29)13-11-18)34-35(24)25(17-22)31-20-6-2-3-7-20/h10-17,20-21,31H,2-9H2,1H3,(H,30,32,33).
What are the key properties of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine?
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine has a molecular weight of 486.60 g/mol, XLogP of 6.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 10277876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).