N-[1-(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide

C23H29N7O2 — CID 172892767

IUPACN-[1-(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
SMILESCc1cc(=O)n(C2CCCC2)c2nc(N3CCCC(NC(=O)c4ccnn4C)C3)ncc12
InChIInChI=1S/C23H29N7O2/c1-15-12-20(31)30(17-7-3-4-8-17)21-18(15)13-24-23(27-21)29-11-5-6-16(14-29)26-22(32)19-9-10-25-28(19)2/h9-10,12-13,16-17H,3-8,11,14H2,1-2H3,(H,26,32)
InChIKeyUNBLPWHCDRCCKM-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.35
Rot. Bonds4

About N-[1-(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide

N-[1-(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 172892767) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[1-(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
PubChem CID172892767
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC NameN-[1-(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
SMILESCc1cc(=O)n(C2CCCC2)c2nc(N3CCCC(NC(=O)c4ccnn4C)C3)ncc12
InChIInChI=1S/C23H29N7O2/c1-15-12-20(31)30(17-7-3-4-8-17)21-18(15)13-24-23(27-21)29-11-5-6-16(14-29)26-22(32)19-9-10-25-28(19)2/h9-10,12-13,16-17H,3-8,11,14H2,1-2H3,(H,26,32)
InChIKeyUNBLPWHCDRCCKM-UHFFFAOYSA-N
XLogP2.35
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

8-cyclopentyl-5-methyl-2-(3-pyridin-3-yloxypiperidin-1-yl)pyrido[2,3-d]pyrimidin-7-one
CID 166603762
8-cyclopentyl-2-(3,6-dihydro-2H-pyridin-1-yl)-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 171328105
8-cyclopentyl-2-[3-(hydroxymethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 171324009
2-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 125023608
8-cyclopentyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 171337934
2-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyrazole-3-carboxamide
CID 124573399
N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172891341
N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172891424
8-cyclopentyl-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 154583458
N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172892155
N-[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172892678
1-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 171993375

Frequently Asked Questions

What is the IUPAC name of N-[1-(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide (CID 172892767) is N-[1-(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide is Cc1cc(=O)n(C2CCCC2)c2nc(N3CCCC(NC(=O)c4ccnn4C)C3)ncc12.
What is the InChIKey of N-[1-(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is UNBLPWHCDRCCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2/c1-15-12-20(31)30(17-7-3-4-8-17)21-18(15)13-24-23(27-21)29-11-5-6-16(14-29)26-22(32)19-9-10-25-28(19)2/h9-10,12-13,16-17H,3-8,11,14H2,1-2H3,(H,26,32).
What are the key properties of N-[1-(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide?
N-[1-(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 172892767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).