1-[4-[2-(2,3-dihydropyridin-6-yl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine

C31H32N6O — CID 123317394

IUPAC1-[4-[2-(2,3-dihydropyridin-6-yl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-n3c(C4=NCCC=C4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1
InChIInChI=1S/C31H32N6O/c32-31(14-4-15-31)23-8-10-24(11-9-23)37-29(27-7-1-2-16-33-27)35-28-13-12-26(34-30(28)37)22-5-3-6-25(21-22)36-17-19-38-20-18-36/h1,3,5-13,21H,2,4,14-20,32H2
InChIKeyHGXWXYPZMWPXNQ-UHFFFAOYSA-N
MW504.64 g/mol
LogP5.01
Rot. Bonds5

About 1-[4-[2-(2,3-dihydropyridin-6-yl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine

1-[4-[2-(2,3-dihydropyridin-6-yl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine (PubChem CID 123317394) has the molecular formula C31H32N6O and a molecular weight of 504.64 g/mol. Its IUPAC name is 1-[4-[2-(2,3-dihydropyridin-6-yl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-[2-(2,3-dihydropyridin-6-yl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine
PubChem CID123317394
Molecular FormulaC31H32N6O
Molecular Weight504.64 g/mol
Exact Mass504.26
IUPAC Name1-[4-[2-(2,3-dihydropyridin-6-yl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-n3c(C4=NCCC=C4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1
InChIInChI=1S/C31H32N6O/c32-31(14-4-15-31)23-8-10-24(11-9-23)37-29(27-7-1-2-16-33-27)35-28-13-12-26(34-30(28)37)22-5-3-6-25(21-22)36-17-19-38-20-18-36/h1,3,5-13,21H,2,4,14-20,32H2
InChIKeyHGXWXYPZMWPXNQ-UHFFFAOYSA-N
XLogP5.01
TPSA81.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.64
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[5-(3-morpholin-4-ylphenyl)-2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine
CID 71138331
3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 58345075
4-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]morpholin-3-one
CID 53262177
3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(1,1-dihydroxy-1,4-thiazinan-4-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 123542681
1-[4-[2-cyclopentyl-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine;1-[4-[2-cyclopropyl-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine;1-[4-(5-morpholin-4-yl-2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]cyclobutan-1-amine;1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyrazin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine;1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine
CID 158664620
4-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylmorpholine-2-carboxamide
CID 71138544
3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 58344997
3-[4-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]piperazin-1-yl]butan-2-one
CID 146619451
4-[3-[3-phenyl-2-(1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine
CID 71138371
tert-butyl N-[1-[4-[2-(2-hydroxyphenyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate
CID 136598417
1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N-methylpiperidine-4-carboxamide
CID 71138545
7-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-7-azabicyclo[2.2.1]heptan-2-ol
CID 121297410

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,3-dihydropyridin-6-yl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-[2-(2,3-dihydropyridin-6-yl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine (CID 123317394) is 1-[4-[2-(2,3-dihydropyridin-6-yl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-[2-(2,3-dihydropyridin-6-yl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-[2-(2,3-dihydropyridin-6-yl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine is NC1(c2ccc(-n3c(C4=NCCC=C4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1.
What is the InChIKey of 1-[4-[2-(2,3-dihydropyridin-6-yl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine?
The InChIKey is HGXWXYPZMWPXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6O/c32-31(14-4-15-31)23-8-10-24(11-9-23)37-29(27-7-1-2-16-33-27)35-28-13-12-26(34-30(28)37)22-5-3-6-25(21-22)36-17-19-38-20-18-36/h1,3,5-13,21H,2,4,14-20,32H2.
What are the key properties of 1-[4-[2-(2,3-dihydropyridin-6-yl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine?
1-[4-[2-(2,3-dihydropyridin-6-yl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine has a molecular weight of 504.64 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,3-dihydropyridin-6-yl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine is sourced from PubChem (CID 123317394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).