6-(5-chloro-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C17H14ClN5 — CID 121456045

IUPAC6-(5-chloro-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1ccc(N2CCc3nc(-c4ccccn4)ncc3C2)nc1
InChIInChI=1S/C17H14ClN5/c18-13-4-5-16(20-10-13)23-8-6-14-12(11-23)9-21-17(22-14)15-3-1-2-7-19-15/h1-5,7,9-10H,6,8,11H2
InChIKeyHQAYHFVKDNLMSA-UHFFFAOYSA-N
MW323.79 g/mol
LogP3.15
Rot. Bonds2

About 6-(5-chloro-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(5-chloro-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 121456045) has the molecular formula C17H14ClN5 and a molecular weight of 323.79 g/mol. Its IUPAC name is 6-(5-chloro-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(5-chloro-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID121456045
Molecular FormulaC17H14ClN5
Molecular Weight323.79 g/mol
Exact Mass323.09
IUPAC Name6-(5-chloro-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1ccc(N2CCc3nc(-c4ccccn4)ncc3C2)nc1
InChIInChI=1S/C17H14ClN5/c18-13-4-5-16(20-10-13)23-8-6-14-12(11-23)9-21-17(22-14)15-3-1-2-7-19-15/h1-5,7,9-10H,6,8,11H2
InChIKeyHQAYHFVKDNLMSA-UHFFFAOYSA-N
XLogP3.15
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(5-chloro-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 121456045) is 6-(5-chloro-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(5-chloro-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(5-chloro-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1ccc(N2CCc3nc(-c4ccccn4)ncc3C2)nc1.
What is the InChIKey of 6-(5-chloro-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is HQAYHFVKDNLMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5/c18-13-4-5-16(20-10-13)23-8-6-14-12(11-23)9-21-17(22-14)15-3-1-2-7-19-15/h1-5,7,9-10H,6,8,11H2.
What are the key properties of 6-(5-chloro-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(5-chloro-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 323.79 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 121456045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).