1-cyclopropyl-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C21H22N6 — CID 75372045

IUPAC1-cyclopropyl-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESc1ccc(-c2nc3c(c(N4CCc5c(ncn5C5CC5)C4)n2)CCC3)nc1
InChIInChI=1S/C21H22N6/c1-2-10-22-17(5-1)20-24-16-6-3-4-15(16)21(25-20)26-11-9-19-18(12-26)23-13-27(19)14-7-8-14/h1-2,5,10,13-14H,3-4,6-9,11-12H2
InChIKeyYHSFGDFMUGIYRX-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.12
Rot. Bonds3

About 1-cyclopropyl-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

1-cyclopropyl-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 75372045) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-cyclopropyl-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-cyclopropyl-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID75372045
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name1-cyclopropyl-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESc1ccc(-c2nc3c(c(N4CCc5c(ncn5C5CC5)C4)n2)CCC3)nc1
InChIInChI=1S/C21H22N6/c1-2-10-22-17(5-1)20-24-16-6-3-4-15(16)21(25-20)26-11-9-19-18(12-26)23-13-27(19)14-7-8-14/h1-2,5,10,13-14H,3-4,6-9,11-12H2
InChIKeyYHSFGDFMUGIYRX-UHFFFAOYSA-N
XLogP3.12
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 1-cyclopropyl-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 75372045) is 1-cyclopropyl-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-cyclopropyl-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 1-cyclopropyl-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is c1ccc(-c2nc3c(c(N4CCc5c(ncn5C5CC5)C4)n2)CCC3)nc1.
What is the InChIKey of 1-cyclopropyl-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is YHSFGDFMUGIYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-2-10-22-17(5-1)20-24-16-6-3-4-15(16)21(25-20)26-11-9-19-18(12-26)23-13-27(19)14-7-8-14/h1-2,5,10,13-14H,3-4,6-9,11-12H2.
What are the key properties of 1-cyclopropyl-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
1-cyclopropyl-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 358.45 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 75372045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).