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

C29H33FN6O — CID 10163981

IUPACN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethoxy-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine
SMILESCCOc1cc(NC2CCCC2)cc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C29H33FN6O/c1-2-37-26-18-23(32-21-7-3-4-8-21)17-25-27(28(35-36(25)26)19-11-13-20(30)14-12-19)24-15-16-31-29(34-24)33-22-9-5-6-10-22/h11-18,21-22,32H,2-10H2,1H3,(H,31,33,34)
InChIKeyOZNIETFZYQCVHB-UHFFFAOYSA-N
MW500.62 g/mol
LogP6.71
Rot. Bonds8

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

N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethoxy-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine (PubChem CID 10163981) has the molecular formula C29H33FN6O and a molecular weight of 500.62 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethoxy-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethoxy-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine
PubChem CID10163981
Molecular FormulaC29H33FN6O
Molecular Weight500.62 g/mol
Exact Mass500.27
IUPAC NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethoxy-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine
SMILESCCOc1cc(NC2CCCC2)cc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C29H33FN6O/c1-2-37-26-18-23(32-21-7-3-4-8-21)17-25-27(28(35-36(25)26)19-11-13-20(30)14-12-19)24-15-16-31-29(34-24)33-22-9-5-6-10-22/h11-18,21-22,32H,2-10H2,1H3,(H,31,33,34)
InChIKeyOZNIETFZYQCVHB-UHFFFAOYSA-N
XLogP6.71
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.62
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,3-c]pyridine
CID 74223726
Pyrazolopyridazine 1
CID 6539361
Pyrazolo[1,5-b]pyridazine deriv. 33
CID 6539375
Pyrazolo[1,5-b]pyridazine deriv. 43
CID 6539385
Sgc-clk-1
CID 6539389
Pyrazolo[1,5-b]pyridazine deriv. 67
CID 6539409
Pyrazolo[1,5-b]pyridazine deriv. 69
CID 6539411
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
Pyrazolo[1,5-b]pyridazine deriv. 101
CID 6539443
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
CID 71272262
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine
CID 71272653
Pyrazolo[1,5-b]pyridazine deriv. 39
CID 6539381

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethoxy-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethoxy-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine (CID 10163981) is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethoxy-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethoxy-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethoxy-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine is CCOc1cc(NC2CCCC2)cc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn12.
What is the InChIKey of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethoxy-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine?
The InChIKey is OZNIETFZYQCVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN6O/c1-2-37-26-18-23(32-21-7-3-4-8-21)17-25-27(28(35-36(25)26)19-11-13-20(30)14-12-19)24-15-16-31-29(34-24)33-22-9-5-6-10-22/h11-18,21-22,32H,2-10H2,1H3,(H,31,33,34).
What are the key properties of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethoxy-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine?
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethoxy-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine has a molecular weight of 500.62 g/mol, XLogP of 6.71, 8 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]-7-ethoxy-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 10163981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).