7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one

C28H26N6O — CID 161090370

IUPAC7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one
SMILESCc1cc2ccn(-c3cccc(-c4ncc5n4CCCC5)n3)c(=O)c2cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C28H26N6O/c1-18-13-20-10-12-34(28(35)22(20)14-25(18)32-16-24(30-17-32)19-8-9-19)26-7-4-6-23(31-26)27-29-15-21-5-2-3-11-33(21)27/h4,6-7,10,12-17,19H,2-3,5,8-9,11H2,1H3
InChIKeyNQTLWRWUAYIICJ-UHFFFAOYSA-N
MW462.56 g/mol
LogP4.96
Rot. Bonds4

About 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one

7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one (PubChem CID 161090370) has the molecular formula C28H26N6O and a molecular weight of 462.56 g/mol. Its IUPAC name is 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one.

Molecular Properties

Compound Name7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one
PubChem CID161090370
Molecular FormulaC28H26N6O
Molecular Weight462.56 g/mol
Exact Mass462.22
IUPAC Name7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one
SMILESCc1cc2ccn(-c3cccc(-c4ncc5n4CCCC5)n3)c(=O)c2cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C28H26N6O/c1-18-13-20-10-12-34(28(35)22(20)14-25(18)32-16-24(30-17-32)19-8-9-19)26-7-4-6-23(31-26)27-29-15-21-5-2-3-11-33(21)27/h4,6-7,10,12-17,19H,2-3,5,8-9,11H2,1H3
InChIKeyNQTLWRWUAYIICJ-UHFFFAOYSA-N
XLogP4.96
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
CID 160540581
6-(4-cyclopropylimidazol-1-yl)-7-morpholin-4-yl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one
CID 157360072
7-(4-cyclopropylimidazol-1-yl)-2-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]isoquinolin-1-one
CID 162608829
5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
CID 159386015
6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one
CID 162710738
7-(4-cyclopropylimidazol-1-yl)-6-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]phthalazin-1-one
CID 146431077
6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one
CID 158862940
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 159386012
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 159386013
15-(4-cyclopropylimidazol-1-yl)-14-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 138458399
7-(4-cyclopropylimidazol-1-yl)-4-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinolin-3-one
CID 175372636
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(fluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 158092590

Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one?
The IUPAC name of 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one (CID 161090370) is 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one.
What is the SMILES notation for 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one?
The canonical SMILES for 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one is Cc1cc2ccn(-c3cccc(-c4ncc5n4CCCC5)n3)c(=O)c2cc1-n1cnc(C2CC2)c1.
What is the InChIKey of 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one?
The InChIKey is NQTLWRWUAYIICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O/c1-18-13-20-10-12-34(28(35)22(20)14-25(18)32-16-24(30-17-32)19-8-9-19)26-7-4-6-23(31-26)27-29-15-21-5-2-3-11-33(21)27/h4,6-7,10,12-17,19H,2-3,5,8-9,11H2,1H3.
What are the key properties of 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one?
7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one has a molecular weight of 462.56 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one is sourced from PubChem (CID 161090370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).