N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

C19H24N6O3 — CID 92625990

IUPACN-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1c([C@@H](C)NC(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3C)cnn1C
InChIInChI=1S/C19H24N6O3/c1-9(2)14-7-12(15-16(22-14)24(5)19(28)23-18(15)27)17(26)21-10(3)13-8-20-25(6)11(13)4/h7-10H,1-6H3,(H,21,26)(H,23,27,28)/t10-/m1/s1
InChIKeyKLJSMAGUPHPLQN-SNVBAGLBSA-N
MW384.44 g/mol
LogP1.28
Rot. Bonds4

About N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 92625990) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID92625990
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC NameN-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1c([C@@H](C)NC(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3C)cnn1C
InChIInChI=1S/C19H24N6O3/c1-9(2)14-7-12(15-16(22-14)24(5)19(28)23-18(15)27)17(26)21-10(3)13-8-20-25(6)11(13)4/h7-10H,1-6H3,(H,21,26)(H,23,27,28)/t10-/m1/s1
InChIKeyKLJSMAGUPHPLQN-SNVBAGLBSA-N
XLogP1.28
TPSA114.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 92625990) is N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is Cc1c([C@@H](C)NC(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3C)cnn1C.
What is the InChIKey of N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is KLJSMAGUPHPLQN-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-9(2)14-7-12(15-16(22-14)24(5)19(28)23-18(15)27)17(26)21-10(3)13-8-20-25(6)11(13)4/h7-10H,1-6H3,(H,21,26)(H,23,27,28)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 92625990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).