[1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-6-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone

C28H29FN6O — CID 70809357

IUPAC[1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-6-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESCc1nc2nc(N)cc(C3Cc4ccc(CN5CCC(C(=O)c6ccc(F)cc6)CC5)cc4N3)c2[nH]1
InChIInChI=1S/C28H29FN6O/c1-16-31-26-22(14-25(30)34-28(26)32-16)24-13-20-3-2-17(12-23(20)33-24)15-35-10-8-19(9-11-35)27(36)18-4-6-21(29)7-5-18/h2-7,12,14,19,24,33H,8-11,13,15H2,1H3,(H3,30,31,32,34)
InChIKeyOGMQPZIXZAGVNB-UHFFFAOYSA-N
MW484.58 g/mol
LogP4.79
Rot. Bonds5

About [1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-6-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone

[1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-6-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 70809357) has the molecular formula C28H29FN6O and a molecular weight of 484.58 g/mol. Its IUPAC name is [1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-6-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-6-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID70809357
Molecular FormulaC28H29FN6O
Molecular Weight484.58 g/mol
Exact Mass484.24
IUPAC Name[1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-6-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESCc1nc2nc(N)cc(C3Cc4ccc(CN5CCC(C(=O)c6ccc(F)cc6)CC5)cc4N3)c2[nH]1
InChIInChI=1S/C28H29FN6O/c1-16-31-26-22(14-25(30)34-28(26)32-16)24-13-20-3-2-17(12-23(20)33-24)15-35-10-8-19(9-11-35)27(36)18-4-6-21(29)7-5-18/h2-7,12,14,19,24,33H,8-11,13,15H2,1H3,(H3,30,31,32,34)
InChIKeyOGMQPZIXZAGVNB-UHFFFAOYSA-N
XLogP4.79
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-6-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone 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

2-methyl-7-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2,3-dihydro-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 70809362
1-[4-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl-methylamino]cyclohexyl]ethanone
CID 70809463
7-[5-[[[3-methoxy-2-(methoxymethyl)propyl]-methylamino]methyl]-2,3-dihydro-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 70809481
[1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 134107288
1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]piperidin-4-one
CID 59640283
[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-phenylmethanone
CID 134116002
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14551556
[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone
CID 19771944
ethane;2-methyl-7-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 142263154
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetonitrile
CID 3020042

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-6-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-6-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone (CID 70809357) is [1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-6-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-6-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-6-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone is Cc1nc2nc(N)cc(C3Cc4ccc(CN5CCC(C(=O)c6ccc(F)cc6)CC5)cc4N3)c2[nH]1.
What is the InChIKey of [1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-6-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is OGMQPZIXZAGVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6O/c1-16-31-26-22(14-25(30)34-28(26)32-16)24-13-20-3-2-17(12-23(20)33-24)15-35-10-8-19(9-11-35)27(36)18-4-6-21(29)7-5-18/h2-7,12,14,19,24,33H,8-11,13,15H2,1H3,(H3,30,31,32,34).
What are the key properties of [1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-6-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-6-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 484.58 g/mol, XLogP of 4.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-6-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 70809357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).