N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C21H20N6O2 — CID 110219323

IUPACN-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCN1c2ncccc2C(=O)NC1c1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1
InChIInChI=1S/C21H20N6O2/c1-27-18(24-20(28)15-5-3-11-22-19(15)27)12-7-9-13(10-8-12)23-21(29)17-14-4-2-6-16(14)25-26-17/h3,5,7-11,18H,2,4,6H2,1H3,(H,23,29)(H,24,28)(H,25,26)
InChIKeyHHUJOUOMUDZFAC-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.42
Rot. Bonds3

About N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 110219323) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID110219323
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCN1c2ncccc2C(=O)NC1c1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1
InChIInChI=1S/C21H20N6O2/c1-27-18(24-20(28)15-5-3-11-22-19(15)27)12-7-9-13(10-8-12)23-21(29)17-14-4-2-6-16(14)25-26-17/h3,5,7-11,18H,2,4,6H2,1H3,(H,23,29)(H,24,28)(H,25,26)
InChIKeyHHUJOUOMUDZFAC-UHFFFAOYSA-N
XLogP2.42
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-2-pyrrolidin-1-ylacetamide
CID 51599012
(1S)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]cyclohex-3-ene-1-carboxamide
CID 124810746
3-methoxy-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide
CID 95801865
2-(dimethylamino)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide
CID 51598996
2-(4-acetylpiperazin-1-yl)-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]acetamide
CID 110221055
2-(4-hydroxypiperidin-1-yl)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide
CID 51599006
N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-2-thiomorpholin-4-ylacetamide
CID 95801998
N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 95802008
5-methyl-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1-propylpyrazole-4-carboxamide
CID 110219325
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide
CID 51593275
2-[4-[(2R)-butan-2-yl]piperazin-1-yl]-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide
CID 92585784
(3S)-1-[2-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]piperidine-3-carboxamide
CID 51871814

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 110219323) is N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is CN1c2ncccc2C(=O)NC1c1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1.
What is the InChIKey of N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is HHUJOUOMUDZFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-27-18(24-20(28)15-5-3-11-22-19(15)27)12-7-9-13(10-8-12)23-21(29)17-14-4-2-6-16(14)25-26-17/h3,5,7-11,18H,2,4,6H2,1H3,(H,23,29)(H,24,28)(H,25,26).
What are the key properties of N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 110219323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).