5-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C33H33FN8O3 — CID 166493825

IUPAC5-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCOc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cc2nc(-c3cc4ccc(-c5cnc6c(c5)CC(=O)N6)nc4n3CC3CC3)n(C)c12
InChIInChI=1S/C33H33FN8O3/c1-40-29-25(8-20(10-27(29)45-2)33(44)41-15-22(34)12-23(35)16-41)38-32(40)26-9-18-5-6-24(37-31(18)42(26)14-17-3-4-17)21-7-19-11-28(43)39-30(19)36-13-21/h5-10,13,17,22-23H,3-4,11-12,14-16,35H2,1-2H3,(H,36,39,43)/t22-,23-/m1/s1
InChIKeyJUWVTNNGHOPEBW-DHIUTWEWSA-N
MW608.68 g/mol
LogP4.08
Rot. Bonds6

About 5-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

5-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 166493825) has the molecular formula C33H33FN8O3 and a molecular weight of 608.68 g/mol. Its IUPAC name is 5-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID166493825
Molecular FormulaC33H33FN8O3
Molecular Weight608.68 g/mol
Exact Mass608.27
IUPAC Name5-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCOc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cc2nc(-c3cc4ccc(-c5cnc6c(c5)CC(=O)N6)nc4n3CC3CC3)n(C)c12
InChIInChI=1S/C33H33FN8O3/c1-40-29-25(8-20(10-27(29)45-2)33(44)41-15-22(34)12-23(35)16-41)38-32(40)26-9-18-5-6-24(37-31(18)42(26)14-17-3-4-17)21-7-19-11-28(43)39-30(19)36-13-21/h5-10,13,17,22-23H,3-4,11-12,14-16,35H2,1-2H3,(H,36,39,43)/t22-,23-/m1/s1
InChIKeyJUWVTNNGHOPEBW-DHIUTWEWSA-N
XLogP4.08
TPSA133.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.68
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 166493825) is 5-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is COc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cc2nc(-c3cc4ccc(-c5cnc6c(c5)CC(=O)N6)nc4n3CC3CC3)n(C)c12.
What is the InChIKey of 5-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is JUWVTNNGHOPEBW-DHIUTWEWSA-N. The full InChI is InChI=1S/C33H33FN8O3/c1-40-29-25(8-20(10-27(29)45-2)33(44)41-15-22(34)12-23(35)16-41)38-32(40)26-9-18-5-6-24(37-31(18)42(26)14-17-3-4-17)21-7-19-11-28(43)39-30(19)36-13-21/h5-10,13,17,22-23H,3-4,11-12,14-16,35H2,1-2H3,(H,36,39,43)/t22-,23-/m1/s1.
What are the key properties of 5-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
5-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 608.68 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 166493825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).