2-[(1-acetylpyrrolidin-3-yl)amino]-6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one

C26H26ClN7O2 — CID 71557240

IUPAC2-[(1-acetylpyrrolidin-3-yl)amino]-6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(-c3nccnc3C)cc2Cl)cc2cnc(NC3CCN(C(C)=O)C3)nc21
InChIInChI=1S/C26H26ClN7O2/c1-4-34-24-18(13-30-26(32-24)31-19-7-10-33(14-19)16(3)35)11-21(25(34)36)20-6-5-17(12-22(20)27)23-15(2)28-8-9-29-23/h5-6,8-9,11-13,19H,4,7,10,14H2,1-3H3,(H,30,31,32)
InChIKeyCBKMEMHEZGRLFW-UHFFFAOYSA-N
MW503.99 g/mol
LogP3.93
Rot. Bonds5

About 2-[(1-acetylpyrrolidin-3-yl)amino]-6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one

2-[(1-acetylpyrrolidin-3-yl)amino]-6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 71557240) has the molecular formula C26H26ClN7O2 and a molecular weight of 503.99 g/mol. Its IUPAC name is 2-[(1-acetylpyrrolidin-3-yl)amino]-6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(1-acetylpyrrolidin-3-yl)amino]-6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one
PubChem CID71557240
Molecular FormulaC26H26ClN7O2
Molecular Weight503.99 g/mol
Exact Mass503.18
IUPAC Name2-[(1-acetylpyrrolidin-3-yl)amino]-6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(-c3nccnc3C)cc2Cl)cc2cnc(NC3CCN(C(C)=O)C3)nc21
InChIInChI=1S/C26H26ClN7O2/c1-4-34-24-18(13-30-26(32-24)31-19-7-10-33(14-19)16(3)35)11-21(25(34)36)20-6-5-17(12-22(20)27)23-15(2)28-8-9-29-23/h5-6,8-9,11-13,19H,4,7,10,14H2,1-3H3,(H,30,31,32)
InChIKeyCBKMEMHEZGRLFW-UHFFFAOYSA-N
XLogP3.93
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.99
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(1-acetylpyrrolidin-3-yl)amino]-6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(piperidin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 71558367
6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-2-(1-ethoxyhexan-3-ylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one
CID 123562583
6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-2-(oxolan-3-ylamino)-8-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 78110871
2-chloro-8-ethyl-6-[2-methyl-4-(3-methylpyrazin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 86683497
2-[(1-acetylpiperidin-4-yl)amino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 23551756
ethyl 4-[[6-(2-chlorophenyl)-7-oxo-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 23551832
6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 89473911
6-(2-chloro-5-methyl-4-pyrazin-2-ylphenyl)-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 71558363
6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[2-(1-iodopiperidin-4-yl)ethylamino]pyrido[2,3-d]pyrimidin-7-one
CID 166170812
6-[2-chloro-4-(6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 89473909
N-[5-[3-chloro-4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide
CID 70934140
6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-ylamino)-8-(2-oxo-4-pyridin-4-ylbutyl)pyrido[2,3-d]pyrimidin-7-one
CID 147732757

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylpyrrolidin-3-yl)amino]-6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[(1-acetylpyrrolidin-3-yl)amino]-6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one (CID 71557240) is 2-[(1-acetylpyrrolidin-3-yl)amino]-6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(1-acetylpyrrolidin-3-yl)amino]-6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[(1-acetylpyrrolidin-3-yl)amino]-6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3nccnc3C)cc2Cl)cc2cnc(NC3CCN(C(C)=O)C3)nc21.
What is the InChIKey of 2-[(1-acetylpyrrolidin-3-yl)amino]-6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CBKMEMHEZGRLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN7O2/c1-4-34-24-18(13-30-26(32-24)31-19-7-10-33(14-19)16(3)35)11-21(25(34)36)20-6-5-17(12-22(20)27)23-15(2)28-8-9-29-23/h5-6,8-9,11-13,19H,4,7,10,14H2,1-3H3,(H,30,31,32).
What are the key properties of 2-[(1-acetylpyrrolidin-3-yl)amino]-6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
2-[(1-acetylpyrrolidin-3-yl)amino]-6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 503.99 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylpyrrolidin-3-yl)amino]-6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 71557240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).