N-[3-(2-cyclopropylimidazo[4,5-b]pyridin-3-yl)cyclobutyl]quinolin-2-amine

C22H21N5 — CID 71736244

IUPACN-[3-(2-cyclopropylimidazo[4,5-b]pyridin-3-yl)cyclobutyl]quinolin-2-amine
SMILESc1ccc2nc(NC3CC(n4c(C5CC5)nc5cccnc54)C3)ccc2c1
InChIInChI=1S/C22H21N5/c1-2-5-18-14(4-1)9-10-20(25-18)24-16-12-17(13-16)27-21(15-7-8-15)26-19-6-3-11-23-22(19)27/h1-6,9-11,15-17H,7-8,12-13H2,(H,24,25)
InChIKeyKULHOXXWNFCOBR-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.67
Rot. Bonds4

About N-[3-(2-cyclopropylimidazo[4,5-b]pyridin-3-yl)cyclobutyl]quinolin-2-amine

N-[3-(2-cyclopropylimidazo[4,5-b]pyridin-3-yl)cyclobutyl]quinolin-2-amine (PubChem CID 71736244) has the molecular formula C22H21N5 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[3-(2-cyclopropylimidazo[4,5-b]pyridin-3-yl)cyclobutyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[3-(2-cyclopropylimidazo[4,5-b]pyridin-3-yl)cyclobutyl]quinolin-2-amine
PubChem CID71736244
Molecular FormulaC22H21N5
Molecular Weight355.44 g/mol
Exact Mass355.18
IUPAC NameN-[3-(2-cyclopropylimidazo[4,5-b]pyridin-3-yl)cyclobutyl]quinolin-2-amine
SMILESc1ccc2nc(NC3CC(n4c(C5CC5)nc5cccnc54)C3)ccc2c1
InChIInChI=1S/C22H21N5/c1-2-5-18-14(4-1)9-10-20(25-18)24-16-12-17(13-16)27-21(15-7-8-15)26-19-6-3-11-23-22(19)27/h1-6,9-11,15-17H,7-8,12-13H2,(H,24,25)
InChIKeyKULHOXXWNFCOBR-UHFFFAOYSA-N
XLogP4.67
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclopropylimidazo[4,5-b]pyridin-3-yl)cyclobutyl]quinolin-2-amine?
The IUPAC name of N-[3-(2-cyclopropylimidazo[4,5-b]pyridin-3-yl)cyclobutyl]quinolin-2-amine (CID 71736244) is N-[3-(2-cyclopropylimidazo[4,5-b]pyridin-3-yl)cyclobutyl]quinolin-2-amine.
What is the SMILES notation for N-[3-(2-cyclopropylimidazo[4,5-b]pyridin-3-yl)cyclobutyl]quinolin-2-amine?
The canonical SMILES for N-[3-(2-cyclopropylimidazo[4,5-b]pyridin-3-yl)cyclobutyl]quinolin-2-amine is c1ccc2nc(NC3CC(n4c(C5CC5)nc5cccnc54)C3)ccc2c1.
What is the InChIKey of N-[3-(2-cyclopropylimidazo[4,5-b]pyridin-3-yl)cyclobutyl]quinolin-2-amine?
The InChIKey is KULHOXXWNFCOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-2-5-18-14(4-1)9-10-20(25-18)24-16-12-17(13-16)27-21(15-7-8-15)26-19-6-3-11-23-22(19)27/h1-6,9-11,15-17H,7-8,12-13H2,(H,24,25).
What are the key properties of N-[3-(2-cyclopropylimidazo[4,5-b]pyridin-3-yl)cyclobutyl]quinolin-2-amine?
N-[3-(2-cyclopropylimidazo[4,5-b]pyridin-3-yl)cyclobutyl]quinolin-2-amine has a molecular weight of 355.44 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyclopropylimidazo[4,5-b]pyridin-3-yl)cyclobutyl]quinolin-2-amine is sourced from PubChem (CID 71736244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).