N-[5-[2-(cyclopentyloxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-[2-methyl-4-(2-methylpyridine-4-carbonyl)piperazin-1-yl]cyclobutane-1-carboxamide

C34H40N8O3 — CID 170078781

IUPACN-[5-[2-(cyclopentyloxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-[2-methyl-4-(2-methylpyridine-4-carbonyl)piperazin-1-yl]cyclobutane-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C3CC(C(=O)Nc4cc5cc(-c6cnc(COC7CCCC7)nc6)ccn5n4)C3)C(C)C2)ccn1
InChIInChI=1S/C34H40N8O3/c1-22-13-25(7-9-35-22)34(44)40-11-12-41(23(2)20-40)28-15-26(16-28)33(43)38-31-17-29-14-24(8-10-42(29)39-31)27-18-36-32(37-19-27)21-45-30-5-3-4-6-30/h7-10,13-14,17-19,23,26,28,30H,3-6,11-12,15-16,20-21H2,1-2H3,(H,38,39,43)
InChIKeyZITYTHOYSRYSSP-UHFFFAOYSA-N
MW608.75 g/mol
LogP4.52
Rot. Bonds8

About N-[5-[2-(cyclopentyloxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-[2-methyl-4-(2-methylpyridine-4-carbonyl)piperazin-1-yl]cyclobutane-1-carboxamide

N-[5-[2-(cyclopentyloxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-[2-methyl-4-(2-methylpyridine-4-carbonyl)piperazin-1-yl]cyclobutane-1-carboxamide (PubChem CID 170078781) has the molecular formula C34H40N8O3 and a molecular weight of 608.75 g/mol. Its IUPAC name is N-[5-[2-(cyclopentyloxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-[2-methyl-4-(2-methylpyridine-4-carbonyl)piperazin-1-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(cyclopentyloxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-[2-methyl-4-(2-methylpyridine-4-carbonyl)piperazin-1-yl]cyclobutane-1-carboxamide
PubChem CID170078781
Molecular FormulaC34H40N8O3
Molecular Weight608.75 g/mol
Exact Mass608.32
IUPAC NameN-[5-[2-(cyclopentyloxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-[2-methyl-4-(2-methylpyridine-4-carbonyl)piperazin-1-yl]cyclobutane-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C3CC(C(=O)Nc4cc5cc(-c6cnc(COC7CCCC7)nc6)ccn5n4)C3)C(C)C2)ccn1
InChIInChI=1S/C34H40N8O3/c1-22-13-25(7-9-35-22)34(44)40-11-12-41(23(2)20-40)28-15-26(16-28)33(43)38-31-17-29-14-24(8-10-42(29)39-31)27-18-36-32(37-19-27)21-45-30-5-3-4-6-30/h7-10,13-14,17-19,23,26,28,30H,3-6,11-12,15-16,20-21H2,1-2H3,(H,38,39,43)
InChIKeyZITYTHOYSRYSSP-UHFFFAOYSA-N
XLogP4.52
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.75
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-[2-(cyclopentyloxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-[2-methyl-4-(2-methylpyridine-4-carbonyl)piperazin-1-yl]cyclobutane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(cyclopentyloxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-[2-methyl-4-(2-methylpyridine-4-carbonyl)piperazin-1-yl]cyclobutane-1-carboxamide?
The IUPAC name of N-[5-[2-(cyclopentyloxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-[2-methyl-4-(2-methylpyridine-4-carbonyl)piperazin-1-yl]cyclobutane-1-carboxamide (CID 170078781) is N-[5-[2-(cyclopentyloxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-[2-methyl-4-(2-methylpyridine-4-carbonyl)piperazin-1-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for N-[5-[2-(cyclopentyloxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-[2-methyl-4-(2-methylpyridine-4-carbonyl)piperazin-1-yl]cyclobutane-1-carboxamide?
The canonical SMILES for N-[5-[2-(cyclopentyloxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-[2-methyl-4-(2-methylpyridine-4-carbonyl)piperazin-1-yl]cyclobutane-1-carboxamide is Cc1cc(C(=O)N2CCN(C3CC(C(=O)Nc4cc5cc(-c6cnc(COC7CCCC7)nc6)ccn5n4)C3)C(C)C2)ccn1.
What is the InChIKey of N-[5-[2-(cyclopentyloxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-[2-methyl-4-(2-methylpyridine-4-carbonyl)piperazin-1-yl]cyclobutane-1-carboxamide?
The InChIKey is ZITYTHOYSRYSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N8O3/c1-22-13-25(7-9-35-22)34(44)40-11-12-41(23(2)20-40)28-15-26(16-28)33(43)38-31-17-29-14-24(8-10-42(29)39-31)27-18-36-32(37-19-27)21-45-30-5-3-4-6-30/h7-10,13-14,17-19,23,26,28,30H,3-6,11-12,15-16,20-21H2,1-2H3,(H,38,39,43).
What are the key properties of N-[5-[2-(cyclopentyloxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-[2-methyl-4-(2-methylpyridine-4-carbonyl)piperazin-1-yl]cyclobutane-1-carboxamide?
N-[5-[2-(cyclopentyloxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-[2-methyl-4-(2-methylpyridine-4-carbonyl)piperazin-1-yl]cyclobutane-1-carboxamide has a molecular weight of 608.75 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(cyclopentyloxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-[2-methyl-4-(2-methylpyridine-4-carbonyl)piperazin-1-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 170078781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).