6-[(3-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C23H25ClN6 — CID 20960862

IUPAC6-[(3-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1cccc(CN2CCc3nc(N4CCN(c5ccccn5)CC4)ncc3C2)c1
InChIInChI=1S/C23H25ClN6/c24-20-5-3-4-18(14-20)16-28-9-7-21-19(17-28)15-26-23(27-21)30-12-10-29(11-13-30)22-6-1-2-8-25-22/h1-6,8,14-15H,7,9-13,16-17H2
InChIKeyKBNWYEXHTJYLLT-UHFFFAOYSA-N
MW420.95 g/mol
LogP3.41
Rot. Bonds4

About 6-[(3-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(3-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 20960862) has the molecular formula C23H25ClN6 and a molecular weight of 420.95 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID20960862
Molecular FormulaC23H25ClN6
Molecular Weight420.95 g/mol
Exact Mass420.18
IUPAC Name6-[(3-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1cccc(CN2CCc3nc(N4CCN(c5ccccn5)CC4)ncc3C2)c1
InChIInChI=1S/C23H25ClN6/c24-20-5-3-4-18(14-20)16-28-9-7-21-19(17-28)15-26-23(27-21)30-12-10-29(11-13-30)22-6-1-2-8-25-22/h1-6,8,14-15H,7,9-13,16-17H2
InChIKeyKBNWYEXHTJYLLT-UHFFFAOYSA-N
XLogP3.41
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.95
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(3-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 20960862) is 6-[(3-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(3-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(3-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1cccc(CN2CCc3nc(N4CCN(c5ccccn5)CC4)ncc3C2)c1.
What is the InChIKey of 6-[(3-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is KBNWYEXHTJYLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6/c24-20-5-3-4-18(14-20)16-28-9-7-21-19(17-28)15-26-23(27-21)30-12-10-29(11-13-30)22-6-1-2-8-25-22/h1-6,8,14-15H,7,9-13,16-17H2.
What are the key properties of 6-[(3-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(3-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 420.95 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 20960862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).