3-fluoro-4-[1-[(1S)-1-[4-[3-methoxy-4-(methylamino)-2-oxo-1-pyridinyl]-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,5-trimethylbenzamide

C32H37FN6O3 — CID 177301189

IUPAC3-fluoro-4-[1-[(1S)-1-[4-[3-methoxy-4-(methylamino)-2-oxo-1-pyridinyl]-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,5-trimethylbenzamide
SMILESCNc1ccn(-c2ccnc3c2cc([C@H](C)N2CC=C(c4c(C)cc(C(=O)N(C)C)cc4F)CC2)n3C)c(=O)c1OC
InChIInChI=1S/C32H37FN6O3/c1-19-16-22(31(40)36(4)5)17-24(33)28(19)21-9-13-38(14-10-21)20(2)27-18-23-26(8-12-35-30(23)37(27)6)39-15-11-25(34-3)29(42-7)32(39)41/h8-9,11-12,15-18,20,34H,10,13-14H2,1-7H3/t20-/m0/s1
InChIKeyXCLHXIJGBJIDLH-FQEVSTJZSA-N
MW572.69 g/mol
LogP4.77
Rot. Bonds7

About 3-fluoro-4-[1-[(1S)-1-[4-[3-methoxy-4-(methylamino)-2-oxo-1-pyridinyl]-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,5-trimethylbenzamide

3-fluoro-4-[1-[(1S)-1-[4-[3-methoxy-4-(methylamino)-2-oxo-1-pyridinyl]-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,5-trimethylbenzamide (PubChem CID 177301189) has the molecular formula C32H37FN6O3 and a molecular weight of 572.69 g/mol. Its IUPAC name is 3-fluoro-4-[1-[(1S)-1-[4-[3-methoxy-4-(methylamino)-2-oxo-1-pyridinyl]-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,5-trimethylbenzamide.

Molecular Properties

Compound Name3-fluoro-4-[1-[(1S)-1-[4-[3-methoxy-4-(methylamino)-2-oxo-1-pyridinyl]-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,5-trimethylbenzamide
PubChem CID177301189
Molecular FormulaC32H37FN6O3
Molecular Weight572.69 g/mol
Exact Mass572.29
IUPAC Name3-fluoro-4-[1-[(1S)-1-[4-[3-methoxy-4-(methylamino)-2-oxo-1-pyridinyl]-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,5-trimethylbenzamide
SMILESCNc1ccn(-c2ccnc3c2cc([C@H](C)N2CC=C(c4c(C)cc(C(=O)N(C)C)cc4F)CC2)n3C)c(=O)c1OC
InChIInChI=1S/C32H37FN6O3/c1-19-16-22(31(40)36(4)5)17-24(33)28(19)21-9-13-38(14-10-21)20(2)27-18-23-26(8-12-35-30(23)37(27)6)39-15-11-25(34-3)29(42-7)32(39)41/h8-9,11-12,15-18,20,34H,10,13-14H2,1-7H3/t20-/m0/s1
InChIKeyXCLHXIJGBJIDLH-FQEVSTJZSA-N
XLogP4.77
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.69
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-fluoro-4-[1-[(1S)-1-[4-[3-methoxy-4-(methylamino)-2-oxo-1-pyridinyl]-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,5-trimethylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

4-[1-[(1S)-1-[4-(4-amino-5-fluoro-2-oxo-1-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide
CID 177300945
3-fluoro-N,N,5-trimethyl-4-[1-[(1R)-1-[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
CID 177354192
3-fluoro-4-[1-[(1S)-1-[4-[5-fluoro-4-(methylamino)-2-oxo-1-pyridinyl]-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methylbenzoic acid
CID 177301261
3-fluoro-N,N,5-trimethyl-4-[1-[(1S)-1-[1-methyl-4-[5-(methylamino)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
CID 177353897
4-[1-[(1R)-1-[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide
CID 177353906
4-[1-[(1S)-1-[4-(4-amino-5-fluoro-2-oxo-1-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-5-methylbenzoic acid
CID 177300788
6-[1-[(1S)-1-[4-(4-amino-3-fluoro-2-oxo-1-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylpyridine-3-carboxamide
CID 177301037
4-[(4S)-3,3-difluoro-1-[(1S)-1-[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]piperidin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide
CID 177301479
N-[6-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]piperidin-4-yl]-3-pyridinyl]-3-fluoro-N,5-dimethyl-4-[1-[(1S)-1-[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
CID 177301768
N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-5-yl]methyl]piperidin-4-yl]phenyl]-3-fluoro-N,5-dimethyl-4-[1-[(1S)-1-[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
CID 177301844
3-[4-[[4-[7-[3-fluoro-5-methyl-4-[1-[(1S)-1-[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]methyl]-2-methoxyanilino]piperidine-2,6-dione
CID 177300761
4-[1-[1-[(7R)-4-bromo-7-methyl-7H-cyclopenta[b]pyridin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide
CID 177354892

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-[(1S)-1-[4-[3-methoxy-4-(methylamino)-2-oxo-1-pyridinyl]-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,5-trimethylbenzamide?
The IUPAC name of 3-fluoro-4-[1-[(1S)-1-[4-[3-methoxy-4-(methylamino)-2-oxo-1-pyridinyl]-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,5-trimethylbenzamide (CID 177301189) is 3-fluoro-4-[1-[(1S)-1-[4-[3-methoxy-4-(methylamino)-2-oxo-1-pyridinyl]-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,5-trimethylbenzamide.
What is the SMILES notation for 3-fluoro-4-[1-[(1S)-1-[4-[3-methoxy-4-(methylamino)-2-oxo-1-pyridinyl]-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,5-trimethylbenzamide?
The canonical SMILES for 3-fluoro-4-[1-[(1S)-1-[4-[3-methoxy-4-(methylamino)-2-oxo-1-pyridinyl]-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,5-trimethylbenzamide is CNc1ccn(-c2ccnc3c2cc([C@H](C)N2CC=C(c4c(C)cc(C(=O)N(C)C)cc4F)CC2)n3C)c(=O)c1OC.
What is the InChIKey of 3-fluoro-4-[1-[(1S)-1-[4-[3-methoxy-4-(methylamino)-2-oxo-1-pyridinyl]-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,5-trimethylbenzamide?
The InChIKey is XCLHXIJGBJIDLH-FQEVSTJZSA-N. The full InChI is InChI=1S/C32H37FN6O3/c1-19-16-22(31(40)36(4)5)17-24(33)28(19)21-9-13-38(14-10-21)20(2)27-18-23-26(8-12-35-30(23)37(27)6)39-15-11-25(34-3)29(42-7)32(39)41/h8-9,11-12,15-18,20,34H,10,13-14H2,1-7H3/t20-/m0/s1.
What are the key properties of 3-fluoro-4-[1-[(1S)-1-[4-[3-methoxy-4-(methylamino)-2-oxo-1-pyridinyl]-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,5-trimethylbenzamide?
3-fluoro-4-[1-[(1S)-1-[4-[3-methoxy-4-(methylamino)-2-oxo-1-pyridinyl]-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,5-trimethylbenzamide has a molecular weight of 572.69 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-[(1S)-1-[4-[3-methoxy-4-(methylamino)-2-oxo-1-pyridinyl]-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,5-trimethylbenzamide is sourced from PubChem (CID 177301189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).