7-cyclopropyl-1-(2-methylpropyl)-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione

C26H29N7O3 — CID 55929380

IUPAC7-cyclopropyl-1-(2-methylpropyl)-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(c4nnc5ccccn45)CC3)cc(C3CC3)nc21
InChIInChI=1S/C26H29N7O3/c1-15(2)14-33-23-21(24(34)28-26(33)36)18(13-19(27-23)16-6-7-16)25(35)31-11-8-17(9-12-31)22-30-29-20-5-3-4-10-32(20)22/h3-5,10,13,15-17H,6-9,11-12,14H2,1-2H3,(H,28,34,36)
InChIKeyMJPCCUMHKWPOSQ-UHFFFAOYSA-N
MW487.56 g/mol
LogP2.68
Rot. Bonds5

About 7-cyclopropyl-1-(2-methylpropyl)-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione

7-cyclopropyl-1-(2-methylpropyl)-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 55929380) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is 7-cyclopropyl-1-(2-methylpropyl)-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-cyclopropyl-1-(2-methylpropyl)-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID55929380
Molecular FormulaC26H29N7O3
Molecular Weight487.56 g/mol
Exact Mass487.23
IUPAC Name7-cyclopropyl-1-(2-methylpropyl)-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(c4nnc5ccccn45)CC3)cc(C3CC3)nc21
InChIInChI=1S/C26H29N7O3/c1-15(2)14-33-23-21(24(34)28-26(33)36)18(13-19(27-23)16-6-7-16)25(35)31-11-8-17(9-12-31)22-30-29-20-5-3-4-10-32(20)22/h3-5,10,13,15-17H,6-9,11-12,14H2,1-2H3,(H,28,34,36)
InChIKeyMJPCCUMHKWPOSQ-UHFFFAOYSA-N
XLogP2.68
TPSA118.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-cyclopropyl-1-(2-methylpropyl)-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-anilinopyrrolidine-1-carbonyl)-7-cyclopropyl-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 56580871
7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 37133161
N-(3-aminobutyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 119497025
7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2,2,2-trifluoro-1-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55985680
5-(4-aminopiperidine-1-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 119375755
(2,3-dimethyl-1H-indol-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31999452
4,6-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70774566
7-cyclopropyl-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 55967720
5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 120814683
7-cyclopropyl-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 55972944
7-cyclopropyl-1-(2-methylpropyl)-N-(4-methyl-3-sulfamoylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 55582558
N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39266452

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-1-(2-methylpropyl)-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-cyclopropyl-1-(2-methylpropyl)-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 55929380) is 7-cyclopropyl-1-(2-methylpropyl)-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-cyclopropyl-1-(2-methylpropyl)-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-cyclopropyl-1-(2-methylpropyl)-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione is CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(c4nnc5ccccn45)CC3)cc(C3CC3)nc21.
What is the InChIKey of 7-cyclopropyl-1-(2-methylpropyl)-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is MJPCCUMHKWPOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3/c1-15(2)14-33-23-21(24(34)28-26(33)36)18(13-19(27-23)16-6-7-16)25(35)31-11-8-17(9-12-31)22-30-29-20-5-3-4-10-32(20)22/h3-5,10,13,15-17H,6-9,11-12,14H2,1-2H3,(H,28,34,36).
What are the key properties of 7-cyclopropyl-1-(2-methylpropyl)-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
7-cyclopropyl-1-(2-methylpropyl)-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 487.56 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-1-(2-methylpropyl)-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 55929380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).