N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carboxamide

C21H20N4O2S — CID 75583226

IUPACN-(1-hydroxy-3-phenylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carboxamide
SMILESO=C(NC(CO)Cc1ccccc1)c1ccsc1Nc1ccnc2[nH]ccc12
InChIInChI=1S/C21H20N4O2S/c26-13-15(12-14-4-2-1-3-5-14)24-20(27)17-8-11-28-21(17)25-18-7-10-23-19-16(18)6-9-22-19/h1-11,15,26H,12-13H2,(H,24,27)(H2,22,23,25)
InChIKeyXEFIBZVIZXWIMA-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.70
Rot. Bonds7

About N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carboxamide

N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carboxamide (PubChem CID 75583226) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-phenylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carboxamide
PubChem CID75583226
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-(1-hydroxy-3-phenylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carboxamide
SMILESO=C(NC(CO)Cc1ccccc1)c1ccsc1Nc1ccnc2[nH]ccc12
InChIInChI=1S/C21H20N4O2S/c26-13-15(12-14-4-2-1-3-5-14)24-20(27)17-8-11-28-21(17)25-18-7-10-23-19-16(18)6-9-22-19/h1-11,15,26H,12-13H2,(H,24,27)(H2,22,23,25)
InChIKeyXEFIBZVIZXWIMA-UHFFFAOYSA-N
XLogP3.70
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-amino-1-(4-methylphenyl)ethyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carboxamide
CID 70795546
[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-[(1S)-2-hydroxy-1-phenylethyl]carbamate
CID 130442795
N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 102673756
N-(1-amino-3-phenylpropan-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 69102089
2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carbaldehyde
CID 89118347
3-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-4-carboxamide
CID 81442857
4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 102673766
N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide
CID 6709695
[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-[2-(methylamino)-1-phenylethyl]carbamate
CID 130442888
N-(1-amino-3-phenylpropan-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-carboxamide
CID 24803465
3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107861114

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carboxamide?
The IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carboxamide (CID 75583226) is N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carboxamide is O=C(NC(CO)Cc1ccccc1)c1ccsc1Nc1ccnc2[nH]ccc12.
What is the InChIKey of N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carboxamide?
The InChIKey is XEFIBZVIZXWIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c26-13-15(12-14-4-2-1-3-5-14)24-20(27)17-8-11-28-21(17)25-18-7-10-23-19-16(18)6-9-22-19/h1-11,15,26H,12-13H2,(H,24,27)(H2,22,23,25).
What are the key properties of N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carboxamide?
N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 3.70, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carboxamide is sourced from PubChem (CID 75583226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).