N-(2-fluoro-6-methylphenyl)-1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-(oxan-4-yl)acetyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide

C26H32FN5O4 — CID 126552805

IUPACN-(2-fluoro-6-methylphenyl)-1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-(oxan-4-yl)acetyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCN[C@@H](C)C(=O)NC(C(=O)N1c2ncccc2CC1C(=O)Nc1c(C)cccc1F)C1CCOCC1
InChIInChI=1S/C26H32FN5O4/c1-15-6-4-8-19(27)21(15)30-25(34)20-14-18-7-5-11-29-23(18)32(20)26(35)22(17-9-12-36-13-10-17)31-24(33)16(2)28-3/h4-8,11,16-17,20,22,28H,9-10,12-14H2,1-3H3,(H,30,34)(H,31,33)/t16-,20?,22?/m0/s1
InChIKeyBFUWTCRSESSQGE-LYGRKUJNSA-N
MW497.57 g/mol
LogP1.94
Rot. Bonds7

About N-(2-fluoro-6-methylphenyl)-1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-(oxan-4-yl)acetyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide

N-(2-fluoro-6-methylphenyl)-1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-(oxan-4-yl)acetyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 126552805) has the molecular formula C26H32FN5O4 and a molecular weight of 497.57 g/mol. Its IUPAC name is N-(2-fluoro-6-methylphenyl)-1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-(oxan-4-yl)acetyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-6-methylphenyl)-1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-(oxan-4-yl)acetyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID126552805
Molecular FormulaC26H32FN5O4
Molecular Weight497.57 g/mol
Exact Mass497.24
IUPAC NameN-(2-fluoro-6-methylphenyl)-1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-(oxan-4-yl)acetyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCN[C@@H](C)C(=O)NC(C(=O)N1c2ncccc2CC1C(=O)Nc1c(C)cccc1F)C1CCOCC1
InChIInChI=1S/C26H32FN5O4/c1-15-6-4-8-19(27)21(15)30-25(34)20-14-18-7-5-11-29-23(18)32(20)26(35)22(17-9-12-36-13-10-17)31-24(33)16(2)28-3/h4-8,11,16-17,20,22,28H,9-10,12-14H2,1-3H3,(H,30,34)(H,31,33)/t16-,20?,22?/m0/s1
InChIKeyBFUWTCRSESSQGE-LYGRKUJNSA-N
XLogP1.94
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2-fluoro-6-methylphenyl)-1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-(oxan-4-yl)acetyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-methylphenyl)-1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-(oxan-4-yl)acetyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(2-fluoro-6-methylphenyl)-1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-(oxan-4-yl)acetyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide (CID 126552805) is N-(2-fluoro-6-methylphenyl)-1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-(oxan-4-yl)acetyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-6-methylphenyl)-1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-(oxan-4-yl)acetyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(2-fluoro-6-methylphenyl)-1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-(oxan-4-yl)acetyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide is CN[C@@H](C)C(=O)NC(C(=O)N1c2ncccc2CC1C(=O)Nc1c(C)cccc1F)C1CCOCC1.
What is the InChIKey of N-(2-fluoro-6-methylphenyl)-1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-(oxan-4-yl)acetyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is BFUWTCRSESSQGE-LYGRKUJNSA-N. The full InChI is InChI=1S/C26H32FN5O4/c1-15-6-4-8-19(27)21(15)30-25(34)20-14-18-7-5-11-29-23(18)32(20)26(35)22(17-9-12-36-13-10-17)31-24(33)16(2)28-3/h4-8,11,16-17,20,22,28H,9-10,12-14H2,1-3H3,(H,30,34)(H,31,33)/t16-,20?,22?/m0/s1.
What are the key properties of N-(2-fluoro-6-methylphenyl)-1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-(oxan-4-yl)acetyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide?
N-(2-fluoro-6-methylphenyl)-1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-(oxan-4-yl)acetyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 497.57 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-methylphenyl)-1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-(oxan-4-yl)acetyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 126552805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).