1,3-dimethyl-2,4-dioxo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-6-carboxamide

C18H20N6O4 — CID 136578196

IUPAC1,3-dimethyl-2,4-dioxo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)Nc3cnn(CC4CCCO4)c3)cnc2n(C)c1=O
InChIInChI=1S/C18H20N6O4/c1-22-15-14(17(26)23(2)18(22)27)6-11(7-19-15)16(25)21-12-8-20-24(9-12)10-13-4-3-5-28-13/h6-9,13H,3-5,10H2,1-2H3,(H,21,25)
InChIKeyHQJHJCZPSHOFEI-UHFFFAOYSA-N
MW384.40 g/mol
LogP0.26
Rot. Bonds4

About 1,3-dimethyl-2,4-dioxo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-6-carboxamide

1,3-dimethyl-2,4-dioxo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 136578196) has the molecular formula C18H20N6O4 and a molecular weight of 384.40 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID136578196
Molecular FormulaC18H20N6O4
Molecular Weight384.40 g/mol
Exact Mass384.15
IUPAC Name1,3-dimethyl-2,4-dioxo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)Nc3cnn(CC4CCCO4)c3)cnc2n(C)c1=O
InChIInChI=1S/C18H20N6O4/c1-22-15-14(17(26)23(2)18(22)27)6-11(7-19-15)16(25)21-12-8-20-24(9-12)10-13-4-3-5-28-13/h6-9,13H,3-5,10H2,1-2H3,(H,21,25)
InChIKeyHQJHJCZPSHOFEI-UHFFFAOYSA-N
XLogP0.26
TPSA113.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145179
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 165126942
3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 86999899
1,3-dimethyl-2,4-dioxo-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 35252385
4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide
CID 121145358
4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 136578207
3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129356187
3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxamide
CID 60544723
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
4-acetyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide
CID 60544430
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)oxolane-2-carboxamide
CID 134009005
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-6-carboxamide (CID 136578196) is 1,3-dimethyl-2,4-dioxo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-6-carboxamide is Cn1c(=O)c2cc(C(=O)Nc3cnn(CC4CCCO4)c3)cnc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is HQJHJCZPSHOFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4/c1-22-15-14(17(26)23(2)18(22)27)6-11(7-19-15)16(25)21-12-8-20-24(9-12)10-13-4-3-5-28-13/h6-9,13H,3-5,10H2,1-2H3,(H,21,25).
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-6-carboxamide?
1,3-dimethyl-2,4-dioxo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 136578196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).