2-[(1-methylpyrazol-4-yl)amino]-6-phenyl-8-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

C25H25N7O2 — CID 174250203

IUPAC2-[(1-methylpyrazol-4-yl)amino]-6-phenyl-8-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESC=CC(=O)N1CC[C@@H](Cn2c(=O)c(-c3ccccc3)cc3cnc(Nc4cnn(C)c4)nc32)C1
InChIInChI=1S/C25H25N7O2/c1-3-22(33)31-10-9-17(14-31)15-32-23-19(11-21(24(32)34)18-7-5-4-6-8-18)12-26-25(29-23)28-20-13-27-30(2)16-20/h3-8,11-13,16-17H,1,9-10,14-15H2,2H3,(H,26,28,29)/t17-/m1/s1
InChIKeyZYFKUVSFAUCSRR-QGZVFWFLSA-N
MW455.52 g/mol
LogP2.97
Rot. Bonds6

About 2-[(1-methylpyrazol-4-yl)amino]-6-phenyl-8-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

2-[(1-methylpyrazol-4-yl)amino]-6-phenyl-8-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 174250203) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)amino]-6-phenyl-8-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)amino]-6-phenyl-8-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID174250203
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name2-[(1-methylpyrazol-4-yl)amino]-6-phenyl-8-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESC=CC(=O)N1CC[C@@H](Cn2c(=O)c(-c3ccccc3)cc3cnc(Nc4cnn(C)c4)nc32)C1
InChIInChI=1S/C25H25N7O2/c1-3-22(33)31-10-9-17(14-31)15-32-23-19(11-21(24(32)34)18-7-5-4-6-8-18)12-26-25(29-23)28-20-13-27-30(2)16-20/h3-8,11-13,16-17H,1,9-10,14-15H2,2H3,(H,26,28,29)/t17-/m1/s1
InChIKeyZYFKUVSFAUCSRR-QGZVFWFLSA-N
XLogP2.97
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[(1-methylpyrazol-4-yl)amino]-6-phenyl-8-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-8-[2-(1-prop-2-enoylazetidin-3-yl)ethyl]pyrido[2,3-d]pyrimidin-7-one
CID 156511085
2-[4-[benzyl(methyl)amino]anilino]-8-[2-(1-prop-2-enoylazetidin-3-yl)ethyl]pyrido[2,3-d]pyrimidin-7-one
CID 156511187
2-anilino-6-(3-butoxy-2-chloro-5-methoxyphenyl)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one
CID 123794806
2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one
CID 11537968
2-(3-piperidin-1-ylanilino)-8-[2-(1-prop-2-enoylazetidin-3-yl)ethyl]pyrido[2,3-d]pyrimidin-7-one
CID 156511050
2,2,2-trifluoro-1-[3-[[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-1-yl]ethanone
CID 54578887
8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1-methylpyrazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 70934528
2-[4-(4-acetylpiperazin-1-yl)-3-fluoroanilino]-8-[2-(1-prop-2-enoylazetidin-3-yl)ethyl]pyrido[2,3-d]pyrimidin-7-one
CID 156511116
N-methyl-4-[4-[[7-oxo-8-[2-(1-prop-2-enoylazetidin-3-yl)ethyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide
CID 156511127
1-[(3R)-3-[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 122470523
1-[(1-ethylsulfonylpyrrolidin-3-yl)methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 54578663
1-[(3R)-3-[[2-[(1-methylpyrazol-4-yl)amino]thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 122470505

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)amino]-6-phenyl-8-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)amino]-6-phenyl-8-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 174250203) is 2-[(1-methylpyrazol-4-yl)amino]-6-phenyl-8-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)amino]-6-phenyl-8-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)amino]-6-phenyl-8-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is C=CC(=O)N1CC[C@@H](Cn2c(=O)c(-c3ccccc3)cc3cnc(Nc4cnn(C)c4)nc32)C1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)amino]-6-phenyl-8-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZYFKUVSFAUCSRR-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-3-22(33)31-10-9-17(14-31)15-32-23-19(11-21(24(32)34)18-7-5-4-6-8-18)12-26-25(29-23)28-20-13-27-30(2)16-20/h3-8,11-13,16-17H,1,9-10,14-15H2,2H3,(H,26,28,29)/t17-/m1/s1.
What are the key properties of 2-[(1-methylpyrazol-4-yl)amino]-6-phenyl-8-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?
2-[(1-methylpyrazol-4-yl)amino]-6-phenyl-8-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 455.52 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)amino]-6-phenyl-8-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 174250203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).