[4-[5-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-4-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine

C32H28ClN7 — CID 69328063

IUPAC[4-[5-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-4-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine
SMILESNCC1CCC(n2cc(-c3cc4nc(-c5ccccn5)ccc4cc3Cl)c3c(-c4ccccn4)ncnc32)CC1
InChIInChI=1S/C32H28ClN7/c33-25-15-21-9-12-27(26-5-1-3-13-35-26)39-29(21)16-23(25)24-18-40(22-10-7-20(17-34)8-11-22)32-30(24)31(37-19-38-32)28-6-2-4-14-36-28/h1-6,9,12-16,18-20,22H,7-8,10-11,17,34H2
InChIKeyAKVXXTGUVVBRRJ-UHFFFAOYSA-N
MW546.08 g/mol
LogP7.11
Rot. Bonds5

About [4-[5-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-4-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine

[4-[5-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-4-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine (PubChem CID 69328063) has the molecular formula C32H28ClN7 and a molecular weight of 546.08 g/mol. Its IUPAC name is [4-[5-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-4-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[5-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-4-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine
PubChem CID69328063
Molecular FormulaC32H28ClN7
Molecular Weight546.08 g/mol
Exact Mass545.21
IUPAC Name[4-[5-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-4-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine
SMILESNCC1CCC(n2cc(-c3cc4nc(-c5ccccn5)ccc4cc3Cl)c3c(-c4ccccn4)ncnc32)CC1
InChIInChI=1S/C32H28ClN7/c33-25-15-21-9-12-27(26-5-1-3-13-35-26)39-29(21)16-23(25)24-18-40(22-10-7-20(17-34)8-11-22)32-30(24)31(37-19-38-32)28-6-2-4-14-36-28/h1-6,9,12-16,18-20,22H,7-8,10-11,17,34H2
InChIKeyAKVXXTGUVVBRRJ-UHFFFAOYSA-N
XLogP7.11
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.08
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[5-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-4-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine with MolForge

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Related Compounds

[4-[5-(6-chloro-2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine
CID 69305291
7-[3-[(dimethylamino)methyl]cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 66676822
CID 87785660
CID 87785660
3-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-1-(cyclobutadienyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 66676502
1-[4-(aminomethyl)cyclohexyl]-3-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 66676261
4-[4-amino-3-(2-pyridin-2-ylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexane-1-carboxylic acid
CID 90825625
CID 87785661
CID 87785661
4-[4-amino-3-(6-chloro-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-methylcyclohexane-1-carboxamide
CID 66676850
7-[3-(aminomethyl)cyclobutyl]-5-(2-benzyl-1H-indazol-2-ium-6-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 59376924
2-[4-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)piperidin-1-yl]ethanol
CID 121334799
(4-pyridin-2-ylcyclohexyl)methanamine
CID 82281318
5-(2-aminopyrimidin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine
CID 162364990

Frequently Asked Questions

What is the IUPAC name of [4-[5-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-4-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine?
The IUPAC name of [4-[5-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-4-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine (CID 69328063) is [4-[5-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-4-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[5-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-4-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-[5-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-4-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine is NCC1CCC(n2cc(-c3cc4nc(-c5ccccn5)ccc4cc3Cl)c3c(-c4ccccn4)ncnc32)CC1.
What is the InChIKey of [4-[5-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-4-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine?
The InChIKey is AKVXXTGUVVBRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28ClN7/c33-25-15-21-9-12-27(26-5-1-3-13-35-26)39-29(21)16-23(25)24-18-40(22-10-7-20(17-34)8-11-22)32-30(24)31(37-19-38-32)28-6-2-4-14-36-28/h1-6,9,12-16,18-20,22H,7-8,10-11,17,34H2.
What are the key properties of [4-[5-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-4-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine?
[4-[5-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-4-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine has a molecular weight of 546.08 g/mol, XLogP of 7.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-4-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine is sourced from PubChem (CID 69328063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).