[1-[2-[2-[[[2,3a-dimethyl-7-[6-(morpholine-4-carbonyl)-1H-indol-2-yl]-1,4-dihydroimidazo[4,5-b]pyridin-5-yl]amino]methyl]-5-amino-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carbonyl]piperidin-4-yl]-(4-fluorophenyl)methanone

C49H47FN12O4 — CID 142263121

IUPAC[1-[2-[2-[[[2,3a-dimethyl-7-[6-(morpholine-4-carbonyl)-1H-indol-2-yl]-1,4-dihydroimidazo[4,5-b]pyridin-5-yl]amino]methyl]-5-amino-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carbonyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESCC1=NC2(C)NC(NCc3nc4nc(N)cc(-c5cc6ccc(C(=O)N7CCC(C(=O)c8ccc(F)cc8)CC7)cc6[nH]5)c4[nH]3)=CC(c3cc4ccc(C(=O)N5CCOCC5)cc4[nH]3)=C2N1
InChIInChI=1S/C49H47FN12O4/c1-26-53-45-35(39-20-30-4-6-32(22-37(30)55-39)48(65)62-15-17-66-18-16-62)24-41(60-49(45,2)59-26)52-25-42-57-43-34(23-40(51)56-46(43)58-42)38-19-29-3-5-31(21-36(29)54-38)47(64)61-13-11-28(12-14-61)44(63)27-7-9-33(50)10-8-27/h3-10,19-24,28,52,54-55,60H,11-18,25H2,1-2H3,(H,53,59)(H3,51,56,57,58)
InChIKeyOVQZPZUZHROOGG-UHFFFAOYSA-N
MW886.99 g/mol
LogP6.20
Rot. Bonds9

About [1-[2-[2-[[[2,3a-dimethyl-7-[6-(morpholine-4-carbonyl)-1H-indol-2-yl]-1,4-dihydroimidazo[4,5-b]pyridin-5-yl]amino]methyl]-5-amino-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carbonyl]piperidin-4-yl]-(4-fluorophenyl)methanone

[1-[2-[2-[[[2,3a-dimethyl-7-[6-(morpholine-4-carbonyl)-1H-indol-2-yl]-1,4-dihydroimidazo[4,5-b]pyridin-5-yl]amino]methyl]-5-amino-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carbonyl]piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 142263121) has the molecular formula C49H47FN12O4 and a molecular weight of 886.99 g/mol. Its IUPAC name is [1-[2-[2-[[[2,3a-dimethyl-7-[6-(morpholine-4-carbonyl)-1H-indol-2-yl]-1,4-dihydroimidazo[4,5-b]pyridin-5-yl]amino]methyl]-5-amino-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carbonyl]piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-[2-[2-[[[2,3a-dimethyl-7-[6-(morpholine-4-carbonyl)-1H-indol-2-yl]-1,4-dihydroimidazo[4,5-b]pyridin-5-yl]amino]methyl]-5-amino-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carbonyl]piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID142263121
Molecular FormulaC49H47FN12O4
Molecular Weight886.99 g/mol
Exact Mass886.38
IUPAC Name[1-[2-[2-[[[2,3a-dimethyl-7-[6-(morpholine-4-carbonyl)-1H-indol-2-yl]-1,4-dihydroimidazo[4,5-b]pyridin-5-yl]amino]methyl]-5-amino-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carbonyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESCC1=NC2(C)NC(NCc3nc4nc(N)cc(-c5cc6ccc(C(=O)N7CCC(C(=O)c8ccc(F)cc8)CC7)cc6[nH]5)c4[nH]3)=CC(c3cc4ccc(C(=O)N5CCOCC5)cc4[nH]3)=C2N1
InChIInChI=1S/C49H47FN12O4/c1-26-53-45-35(39-20-30-4-6-32(22-37(30)55-39)48(65)62-15-17-66-18-16-62)24-41(60-49(45,2)59-26)52-25-42-57-43-34(23-40(51)56-46(43)58-42)38-19-29-3-5-31(21-36(29)54-38)47(64)61-13-11-28(12-14-61)44(63)27-7-9-33(50)10-8-27/h3-10,19-24,28,52,54-55,60H,11-18,25H2,1-2H3,(H,53,59)(H3,51,56,57,58)
InChIKeyOVQZPZUZHROOGG-UHFFFAOYSA-N
XLogP6.20
TPSA214.54 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500886.99
LogP ≤ 56.20
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Analyze [1-[2-[2-[[[2,3a-dimethyl-7-[6-(morpholine-4-carbonyl)-1H-indol-2-yl]-1,4-dihydroimidazo[4,5-b]pyridin-5-yl]amino]methyl]-5-amino-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carbonyl]piperidin-4-yl]-(4-fluorophenyl)methanone with MolForge

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Related Compounds

4-tert-butyl-N-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide
CID 121249908
7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)-6-morpholin-4-ylphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592262
US11203591, Example 86
CID 147772638
4-tert-butyl-N-[2-methyl-5-[6-[4-(morpholine-4-carbonyl)anilino]-7H-purin-2-yl]phenyl]benzamide
CID 90656066
2-(4-aminopiperidin-1-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604331
7-(morpholine-4-carbonyl)-2-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66605049
7-(morpholine-4-carbonyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66605087
2-(4-methylpiperazin-1-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamid
CID 66605244
US11098041, Example 118
CID 121249828
2-methyl-1-[5-[3-[(2-methyl-3H-benzimidazole-5-carbonyl)amino]phenyl]-2-pyridinyl]-N-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide
CID 137639511
US20250346592, Example 245
CID 170344323
N-[[4-[2-(2-amino-3-pyridinyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formylphenyl)acetamide
CID 176509449

Frequently Asked Questions

What is the IUPAC name of [1-[2-[2-[[[2,3a-dimethyl-7-[6-(morpholine-4-carbonyl)-1H-indol-2-yl]-1,4-dihydroimidazo[4,5-b]pyridin-5-yl]amino]methyl]-5-amino-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carbonyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-[2-[2-[[[2,3a-dimethyl-7-[6-(morpholine-4-carbonyl)-1H-indol-2-yl]-1,4-dihydroimidazo[4,5-b]pyridin-5-yl]amino]methyl]-5-amino-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carbonyl]piperidin-4-yl]-(4-fluorophenyl)methanone (CID 142263121) is [1-[2-[2-[[[2,3a-dimethyl-7-[6-(morpholine-4-carbonyl)-1H-indol-2-yl]-1,4-dihydroimidazo[4,5-b]pyridin-5-yl]amino]methyl]-5-amino-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carbonyl]piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-[2-[2-[[[2,3a-dimethyl-7-[6-(morpholine-4-carbonyl)-1H-indol-2-yl]-1,4-dihydroimidazo[4,5-b]pyridin-5-yl]amino]methyl]-5-amino-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carbonyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-[2-[2-[[[2,3a-dimethyl-7-[6-(morpholine-4-carbonyl)-1H-indol-2-yl]-1,4-dihydroimidazo[4,5-b]pyridin-5-yl]amino]methyl]-5-amino-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carbonyl]piperidin-4-yl]-(4-fluorophenyl)methanone is CC1=NC2(C)NC(NCc3nc4nc(N)cc(-c5cc6ccc(C(=O)N7CCC(C(=O)c8ccc(F)cc8)CC7)cc6[nH]5)c4[nH]3)=CC(c3cc4ccc(C(=O)N5CCOCC5)cc4[nH]3)=C2N1.
What is the InChIKey of [1-[2-[2-[[[2,3a-dimethyl-7-[6-(morpholine-4-carbonyl)-1H-indol-2-yl]-1,4-dihydroimidazo[4,5-b]pyridin-5-yl]amino]methyl]-5-amino-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carbonyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is OVQZPZUZHROOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H47FN12O4/c1-26-53-45-35(39-20-30-4-6-32(22-37(30)55-39)48(65)62-15-17-66-18-16-62)24-41(60-49(45,2)59-26)52-25-42-57-43-34(23-40(51)56-46(43)58-42)38-19-29-3-5-31(21-36(29)54-38)47(64)61-13-11-28(12-14-61)44(63)27-7-9-33(50)10-8-27/h3-10,19-24,28,52,54-55,60H,11-18,25H2,1-2H3,(H,53,59)(H3,51,56,57,58).
What are the key properties of [1-[2-[2-[[[2,3a-dimethyl-7-[6-(morpholine-4-carbonyl)-1H-indol-2-yl]-1,4-dihydroimidazo[4,5-b]pyridin-5-yl]amino]methyl]-5-amino-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carbonyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-[2-[2-[[[2,3a-dimethyl-7-[6-(morpholine-4-carbonyl)-1H-indol-2-yl]-1,4-dihydroimidazo[4,5-b]pyridin-5-yl]amino]methyl]-5-amino-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carbonyl]piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 886.99 g/mol, XLogP of 6.20, 9 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-[[[2,3a-dimethyl-7-[6-(morpholine-4-carbonyl)-1H-indol-2-yl]-1,4-dihydroimidazo[4,5-b]pyridin-5-yl]amino]methyl]-5-amino-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carbonyl]piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 142263121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).