N-[4-[3-anilino-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-4-fluoro-3-methoxybenzamide

C33H33FN6O5 — CID 129246686

IUPACN-[4-[3-anilino-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(-c3[nH]c4c(c3Nc3ccccc3)C(=O)CN(C(=O)N3C[C@@H](C)O[C@@H](C)C3)C4)ccn2)ccc1F
InChIInChI=1S/C33H33FN6O5/c1-19-15-39(16-20(2)45-19)33(43)40-17-25-29(26(41)18-40)31(36-23-7-5-4-6-8-23)30(37-25)21-11-12-35-28(14-21)38-32(42)22-9-10-24(34)27(13-22)44-3/h4-14,19-20,36-37H,15-18H2,1-3H3,(H,35,38,42)/t19-,20+
InChIKeyCNVYQPWGZDJEAP-BGYRXZFFSA-N
MW612.66 g/mol
LogP5.45
Rot. Bonds6

About N-[4-[3-anilino-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-4-fluoro-3-methoxybenzamide

N-[4-[3-anilino-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-4-fluoro-3-methoxybenzamide (PubChem CID 129246686) has the molecular formula C33H33FN6O5 and a molecular weight of 612.66 g/mol. Its IUPAC name is N-[4-[3-anilino-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[3-anilino-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-4-fluoro-3-methoxybenzamide
PubChem CID129246686
Molecular FormulaC33H33FN6O5
Molecular Weight612.66 g/mol
Exact Mass612.25
IUPAC NameN-[4-[3-anilino-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(-c3[nH]c4c(c3Nc3ccccc3)C(=O)CN(C(=O)N3C[C@@H](C)O[C@@H](C)C3)C4)ccn2)ccc1F
InChIInChI=1S/C33H33FN6O5/c1-19-15-39(16-20(2)45-19)33(43)40-17-25-29(26(41)18-40)31(36-23-7-5-4-6-8-23)30(37-25)21-11-12-35-28(14-21)38-32(42)22-9-10-24(34)27(13-22)44-3/h4-14,19-20,36-37H,15-18H2,1-3H3,(H,35,38,42)/t19-,20+
InChIKeyCNVYQPWGZDJEAP-BGYRXZFFSA-N
XLogP5.45
TPSA128.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.66
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[3-anilino-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-4-fluoro-3-methoxybenzamide 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

N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-3-fluoro-4-methoxybenzamide
CID 129246548
2-fluoroethyl 2-(2-acetamido-4-pyridinyl)-3-anilino-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate
CID 129246461
N-[4-[6-acetyl-3-(4-fluoroanilino)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide
CID 129246571
N-[4-[6-[(Z)-3-amino-2-sulfanylprop-2-enoyl]-3-anilino-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide
CID 129272989
2-(2-acetamido-4-pyridinyl)-3-anilino-N-methyl-4-oxo-N-propyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxamide
CID 129246434
N-[4-(3-anilino-6-methyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-fluoro-2-methylpropanamide
CID 134582075
cis-(1R,2R)-N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
CID 118607079
(1S)-N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide
CID 129246764
1-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea
CID 118607242
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-methylsulfanylacetamide
CID 118606753
cis-(1S,2S)-N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
CID 118613218
N-[4-[(5S,5aS)-3-anilino-5,5a-dimethyl-4-oxo-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide
CID 135303014

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-anilino-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-[4-[3-anilino-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-4-fluoro-3-methoxybenzamide (CID 129246686) is N-[4-[3-anilino-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-[4-[3-anilino-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-[4-[3-anilino-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)Nc2cc(-c3[nH]c4c(c3Nc3ccccc3)C(=O)CN(C(=O)N3C[C@@H](C)O[C@@H](C)C3)C4)ccn2)ccc1F.
What is the InChIKey of N-[4-[3-anilino-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-4-fluoro-3-methoxybenzamide?
The InChIKey is CNVYQPWGZDJEAP-BGYRXZFFSA-N. The full InChI is InChI=1S/C33H33FN6O5/c1-19-15-39(16-20(2)45-19)33(43)40-17-25-29(26(41)18-40)31(36-23-7-5-4-6-8-23)30(37-25)21-11-12-35-28(14-21)38-32(42)22-9-10-24(34)27(13-22)44-3/h4-14,19-20,36-37H,15-18H2,1-3H3,(H,35,38,42)/t19-,20+.
What are the key properties of N-[4-[3-anilino-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-4-fluoro-3-methoxybenzamide?
N-[4-[3-anilino-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-4-fluoro-3-methoxybenzamide has a molecular weight of 612.66 g/mol, XLogP of 5.45, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-anilino-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 129246686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).