N-[5-[(5-tert-butylthiophene-2-carbonyl)amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C24H24N4O2S — CID 25121560

IUPACN-[5-[(5-tert-butylthiophene-2-carbonyl)amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(C)(C)C)s2)cc1NC(=O)c1cnc2[nH]ccc2c1
InChIInChI=1S/C24H24N4O2S/c1-14-5-6-17(27-23(30)19-7-8-20(31-19)24(2,3)4)12-18(14)28-22(29)16-11-15-9-10-25-21(15)26-13-16/h5-13H,1-4H3,(H,25,26)(H,27,30)(H,28,29)
InChIKeyGXPXPTRGHGQTPA-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.73
Rot. Bonds4

About N-[5-[(5-tert-butylthiophene-2-carbonyl)amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-[5-[(5-tert-butylthiophene-2-carbonyl)amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 25121560) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[5-[(5-tert-butylthiophene-2-carbonyl)amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[5-[(5-tert-butylthiophene-2-carbonyl)amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID25121560
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC NameN-[5-[(5-tert-butylthiophene-2-carbonyl)amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(C)(C)C)s2)cc1NC(=O)c1cnc2[nH]ccc2c1
InChIInChI=1S/C24H24N4O2S/c1-14-5-6-17(27-23(30)19-7-8-20(31-19)24(2,3)4)12-18(14)28-22(29)16-11-15-9-10-25-21(15)26-13-16/h5-13H,1-4H3,(H,25,26)(H,27,30)(H,28,29)
InChIKeyGXPXPTRGHGQTPA-UHFFFAOYSA-N
XLogP5.73
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 25118033
tert-butyl 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoate
CID 68919681
N-[5-[(2-tert-butylpyridine-4-carbonyl)amino]-2-methylphenyl]-4-(methylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 25119099
4-tert-butyl-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 70931081
4-(diethylaminomethyl)-N-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 155618614
5-tert-butyl-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 2741497
2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoic acid
CID 67007623
N-[5-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-methylphenyl]pyridine-4-carboxamide
CID 86852098
N-[5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide
CID 86852084
N-(5-acetamido-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103764048
N-(2-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 158760114
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-thiazol-2-yl]amino]phenyl]benzamide
CID 174789263

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-tert-butylthiophene-2-carbonyl)amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[5-[(5-tert-butylthiophene-2-carbonyl)amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 25121560) is N-[5-[(5-tert-butylthiophene-2-carbonyl)amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[5-[(5-tert-butylthiophene-2-carbonyl)amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[5-[(5-tert-butylthiophene-2-carbonyl)amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is Cc1ccc(NC(=O)c2ccc(C(C)(C)C)s2)cc1NC(=O)c1cnc2[nH]ccc2c1.
What is the InChIKey of N-[5-[(5-tert-butylthiophene-2-carbonyl)amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is GXPXPTRGHGQTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-14-5-6-17(27-23(30)19-7-8-20(31-19)24(2,3)4)12-18(14)28-22(29)16-11-15-9-10-25-21(15)26-13-16/h5-13H,1-4H3,(H,25,26)(H,27,30)(H,28,29).
What are the key properties of N-[5-[(5-tert-butylthiophene-2-carbonyl)amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
N-[5-[(5-tert-butylthiophene-2-carbonyl)amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 5.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-tert-butylthiophene-2-carbonyl)amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 25121560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).