2-(2-chloro-4-pyridinyl)-5-cyclopropylpyrido[3,4-d]pyrimidine

C15H11ClN4 — CID 141413145

IUPAC2-(2-chloro-4-pyridinyl)-5-cyclopropylpyrido[3,4-d]pyrimidine
SMILESClc1cc(-c2ncc3c(C4CC4)cncc3n2)ccn1
InChIInChI=1S/C15H11ClN4/c16-14-5-10(3-4-18-14)15-19-7-12-11(9-1-2-9)6-17-8-13(12)20-15/h3-9H,1-2H2
InChIKeyTWCCEZFWOYOUPR-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.62
Rot. Bonds2

About 2-(2-chloro-4-pyridinyl)-5-cyclopropylpyrido[3,4-d]pyrimidine

2-(2-chloro-4-pyridinyl)-5-cyclopropylpyrido[3,4-d]pyrimidine (PubChem CID 141413145) has the molecular formula C15H11ClN4 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-(2-chloro-4-pyridinyl)-5-cyclopropylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(2-chloro-4-pyridinyl)-5-cyclopropylpyrido[3,4-d]pyrimidine
PubChem CID141413145
Molecular FormulaC15H11ClN4
Molecular Weight282.73 g/mol
Exact Mass282.07
IUPAC Name2-(2-chloro-4-pyridinyl)-5-cyclopropylpyrido[3,4-d]pyrimidine
SMILESClc1cc(-c2ncc3c(C4CC4)cncc3n2)ccn1
InChIInChI=1S/C15H11ClN4/c16-14-5-10(3-4-18-14)15-19-7-12-11(9-1-2-9)6-17-8-13(12)20-15/h3-9H,1-2H2
InChIKeyTWCCEZFWOYOUPR-UHFFFAOYSA-N
XLogP3.62
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-4-pyridinyl)-5-cyclopropyl-4-[3-(trifluoromethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 90098769
4-[2-(2-chloro-4-pyridinyl)pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid
CID 151425197
(3S,4S)-1-[2-(2-chloro-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]piperidine-3,4-diol
CID 90100014
5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole
CID 53353035
4-[1-[2-(2-chloro-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]morpholine
CID 86716713
4-N-[5-cyclopropyl-2-[2-[(3,5-difluoro-2-pyridinyl)amino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-yl]-1-N-methylbenzene-1,4-diamine
CID 90099985
2-(2-chloro-4-pyridinyl)pyrazine
CID 71615032
4-[5-cyclopropyl-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]pyridin-2-amine
CID 90098448
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(3-fluorocyclobutyl)pyridin-2-amine
CID 90099989
5-cyclopropyl-N-(2,6-dimethylpiperidin-4-yl)-2-[2-[(3-fluoro-2-pyridinyl)amino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine
CID 118388095
5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 90098813
(2R)-2-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]oxolan-3-amine
CID 90100899

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-pyridinyl)-5-cyclopropylpyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(2-chloro-4-pyridinyl)-5-cyclopropylpyrido[3,4-d]pyrimidine (CID 141413145) is 2-(2-chloro-4-pyridinyl)-5-cyclopropylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(2-chloro-4-pyridinyl)-5-cyclopropylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(2-chloro-4-pyridinyl)-5-cyclopropylpyrido[3,4-d]pyrimidine is Clc1cc(-c2ncc3c(C4CC4)cncc3n2)ccn1.
What is the InChIKey of 2-(2-chloro-4-pyridinyl)-5-cyclopropylpyrido[3,4-d]pyrimidine?
The InChIKey is TWCCEZFWOYOUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4/c16-14-5-10(3-4-18-14)15-19-7-12-11(9-1-2-9)6-17-8-13(12)20-15/h3-9H,1-2H2.
What are the key properties of 2-(2-chloro-4-pyridinyl)-5-cyclopropylpyrido[3,4-d]pyrimidine?
2-(2-chloro-4-pyridinyl)-5-cyclopropylpyrido[3,4-d]pyrimidine has a molecular weight of 282.73 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyridinyl)-5-cyclopropylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 141413145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).