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

C30H32F2N6O2 — CID 177300945

IUPAC4-[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
SMILESCc1cc(C(=O)N(C)C)cc(F)c1C1=CCN([C@@H](C)c2cc3c(-n4cc(F)c(N)cc4=O)ccnc3n2C)CC1
InChIInChI=1S/C30H32F2N6O2/c1-17-12-20(30(40)35(3)4)13-22(31)28(17)19-7-10-37(11-8-19)18(2)26-14-21-25(6-9-34-29(21)36(26)5)38-16-23(32)24(33)15-27(38)39/h6-7,9,12-16,18H,8,10-11,33H2,1-5H3/t18-/m0/s1
InChIKeySKRFMIHZKXBIIE-SFHVURJKSA-N
MW546.62 g/mol
LogP4.45
Rot. Bonds5

About 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

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 (PubChem CID 177300945) has the molecular formula C30H32F2N6O2 and a molecular weight of 546.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID177300945
Molecular FormulaC30H32F2N6O2
Molecular Weight546.62 g/mol
Exact Mass546.26
IUPAC Name4-[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
SMILESCc1cc(C(=O)N(C)C)cc(F)c1C1=CCN([C@@H](C)c2cc3c(-n4cc(F)c(N)cc4=O)ccnc3n2C)CC1
InChIInChI=1S/C30H32F2N6O2/c1-17-12-20(30(40)35(3)4)13-22(31)28(17)19-7-10-37(11-8-19)18(2)26-14-21-25(6-9-34-29(21)36(26)5)38-16-23(32)24(33)15-27(38)39/h6-7,9,12-16,18H,8,10-11,33H2,1-5H3/t18-/m0/s1
InChIKeySKRFMIHZKXBIIE-SFHVURJKSA-N
XLogP4.45
TPSA89.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.62
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 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-[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
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
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
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
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-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
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
(3R)-3-[5-[[(3S)-4-[[1-[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-methylbenzoyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]methyl]-3,3-dimethyl-2-oxoindol-1-yl]piperidine-2,6-dione
CID 177302343
3-[5-[[(3S)-4-[[1-[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-methylbenzoyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]methyl]-3,3-dimethyl-2-oxoindol-1-yl]piperidine-2,6-dione
CID 177302108
[2-[1-[4-[4-[bis(trideuteriomethyl)carbamoyl]-2-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-1-methylpyrrolo[2,3-b]pyridin-4-yl]boronic acid
CID 177301462
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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C(=O)N(C)C)cc(F)c1C1=CCN([C@@H](C)c2cc3c(-n4cc(F)c(N)cc4=O)ccnc3n2C)CC1.
What is the InChIKey of 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?
The InChIKey is SKRFMIHZKXBIIE-SFHVURJKSA-N. The full InChI is InChI=1S/C30H32F2N6O2/c1-17-12-20(30(40)35(3)4)13-22(31)28(17)19-7-10-37(11-8-19)18(2)26-14-21-25(6-9-34-29(21)36(26)5)38-16-23(32)24(33)15-27(38)39/h6-7,9,12-16,18H,8,10-11,33H2,1-5H3/t18-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 546.62 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177300945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).