4-[7-(3-aminopiperidin-1-yl)-3-[2-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]-3-fluorobenzonitrile

C29H29F2N7O — CID 154665580

IUPAC4-[7-(3-aminopiperidin-1-yl)-3-[2-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]-3-fluorobenzonitrile
SMILESCOC1CCN(c2ccc(-n3c(-c4ccc(C#N)cc4F)nc4c(N5CCCC(N)C5)ccnc43)c(F)c2)C1
InChIInChI=1S/C29H29F2N7O/c1-39-21-9-12-36(17-21)20-5-7-25(24(31)14-20)38-28(22-6-4-18(15-32)13-23(22)30)35-27-26(8-10-34-29(27)38)37-11-2-3-19(33)16-37/h4-8,10,13-14,19,21H,2-3,9,11-12,16-17,33H2,1H3
InChIKeyYAAQGAQUCLDFIV-UHFFFAOYSA-N
MW529.60 g/mol
LogP4.39
Rot. Bonds5

About 4-[7-(3-aminopiperidin-1-yl)-3-[2-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]-3-fluorobenzonitrile

4-[7-(3-aminopiperidin-1-yl)-3-[2-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]-3-fluorobenzonitrile (PubChem CID 154665580) has the molecular formula C29H29F2N7O and a molecular weight of 529.60 g/mol. Its IUPAC name is 4-[7-(3-aminopiperidin-1-yl)-3-[2-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[7-(3-aminopiperidin-1-yl)-3-[2-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]-3-fluorobenzonitrile
PubChem CID154665580
Molecular FormulaC29H29F2N7O
Molecular Weight529.60 g/mol
Exact Mass529.24
IUPAC Name4-[7-(3-aminopiperidin-1-yl)-3-[2-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]-3-fluorobenzonitrile
SMILESCOC1CCN(c2ccc(-n3c(-c4ccc(C#N)cc4F)nc4c(N5CCCC(N)C5)ccnc43)c(F)c2)C1
InChIInChI=1S/C29H29F2N7O/c1-39-21-9-12-36(17-21)20-5-7-25(24(31)14-20)38-28(22-6-4-18(15-32)13-23(22)30)35-27-26(8-10-34-29(27)38)37-11-2-3-19(33)16-37/h4-8,10,13-14,19,21H,2-3,9,11-12,16-17,33H2,1H3
InChIKeyYAAQGAQUCLDFIV-UHFFFAOYSA-N
XLogP4.39
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.60
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[7-(3-aminopiperidin-1-yl)-3-[2-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]-3-fluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[7-(3-aminopiperidin-1-yl)-3-[4-(3-ethoxypyrrolidin-1-yl)-2-fluorophenyl]imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
CID 175158250
4-[7-(3-aminopiperidin-1-yl)-3-[2-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
CID 155026327
4-[7-[(3R)-3-aminoazepan-1-yl]-3-[2-fluoro-4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]phenyl]imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
CID 154698680
4-[7-(3-aminopiperidin-1-yl)-3-(2-fluoro-4-pyrrolidin-1-ylphenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
CID 154665635
4-[7-[(3R)-3-aminopiperidin-1-yl]-3-(2-fluoro-4-piperidin-1-ylphenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
CID 154698672
4-[7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-[2-fluoro-4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
CID 154698699
1-[2-(4-cyano-3-fluorophenyl)-3-[2-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]imidazo[4,5-b]pyridin-7-yl]piperidine-2-carbonitrile
CID 154665638
4-[7-(2,7-diazaspiro[4.4]nonan-2-yl)-3-[2-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
CID 154665634
4-[7-[(3R)-3-aminopiperidin-1-yl]-3-(2-fluoro-4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
CID 154698674
4-[3-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-2-fluorophenyl]-7-(3-aminopiperidin-1-yl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
CID 154665595
4-[7-(3-aminopiperidin-1-yl)-3-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
CID 154665607
4-[7-(3-aminopiperidin-1-yl)-3-(4-cyclopropyl-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
CID 154665637

Frequently Asked Questions

What is the IUPAC name of 4-[7-(3-aminopiperidin-1-yl)-3-[2-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]-3-fluorobenzonitrile?
The IUPAC name of 4-[7-(3-aminopiperidin-1-yl)-3-[2-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]-3-fluorobenzonitrile (CID 154665580) is 4-[7-(3-aminopiperidin-1-yl)-3-[2-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[7-(3-aminopiperidin-1-yl)-3-[2-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]-3-fluorobenzonitrile?
The canonical SMILES for 4-[7-(3-aminopiperidin-1-yl)-3-[2-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]-3-fluorobenzonitrile is COC1CCN(c2ccc(-n3c(-c4ccc(C#N)cc4F)nc4c(N5CCCC(N)C5)ccnc43)c(F)c2)C1.
What is the InChIKey of 4-[7-(3-aminopiperidin-1-yl)-3-[2-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]-3-fluorobenzonitrile?
The InChIKey is YAAQGAQUCLDFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2N7O/c1-39-21-9-12-36(17-21)20-5-7-25(24(31)14-20)38-28(22-6-4-18(15-32)13-23(22)30)35-27-26(8-10-34-29(27)38)37-11-2-3-19(33)16-37/h4-8,10,13-14,19,21H,2-3,9,11-12,16-17,33H2,1H3.
What are the key properties of 4-[7-(3-aminopiperidin-1-yl)-3-[2-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]-3-fluorobenzonitrile?
4-[7-(3-aminopiperidin-1-yl)-3-[2-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]-3-fluorobenzonitrile has a molecular weight of 529.60 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-aminopiperidin-1-yl)-3-[2-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]-3-fluorobenzonitrile is sourced from PubChem (CID 154665580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).