[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-(4-fluorophenyl)carbamate

C18H13FN4O2S — CID 130442808

IUPAC[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)Oc1sccc1Nc1ccnc2[nH]ccc12
InChIInChI=1S/C18H13FN4O2S/c19-11-1-3-12(4-2-11)22-18(24)25-17-15(7-10-26-17)23-14-6-9-21-16-13(14)5-8-20-16/h1-10H,(H,22,24)(H2,20,21,23)
InChIKeyACMBJIMJSGDXRM-UHFFFAOYSA-N
MW368.39 g/mol
LogP5.12
Rot. Bonds4

About [3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-(4-fluorophenyl)carbamate

[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-(4-fluorophenyl)carbamate (PubChem CID 130442808) has the molecular formula C18H13FN4O2S and a molecular weight of 368.39 g/mol. Its IUPAC name is [3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-(4-fluorophenyl)carbamate
PubChem CID130442808
Molecular FormulaC18H13FN4O2S
Molecular Weight368.39 g/mol
Exact Mass368.07
IUPAC Name[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)Oc1sccc1Nc1ccnc2[nH]ccc12
InChIInChI=1S/C18H13FN4O2S/c19-11-1-3-12(4-2-11)22-18(24)25-17-15(7-10-26-17)23-14-6-9-21-16-13(14)5-8-20-16/h1-10H,(H,22,24)(H2,20,21,23)
InChIKeyACMBJIMJSGDXRM-UHFFFAOYSA-N
XLogP5.12
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.39
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-(4-fluorophenyl)carbamate 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-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-thiophen-3-ylacetamide
CID 59819792
thiophen-2-yl N-[3-[5-chloro-2-(3-fluoroanilino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl]carbamate
CID 89731532
thiophen-2-yl N-[3-[2-(3-fluoroanilino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl]carbamate
CID 89731715
thiophen-2-yl N-[3-[2-[3-(trifluoromethyl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]carbamate
CID 89731721
N-(4-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 90226156
[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]carbamate
CID 130442792
[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-[2-[(3-chloro-4-fluorophenyl)methylamino]ethyl]carbamate
CID 130442801
[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-[2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]carbamate
CID 130442803
[2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]carbamate
CID 130442806
[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-[2-[(4-fluorophenyl)methylamino]ethyl]carbamate
CID 130442811
[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-[2-[(2-fluorophenyl)methylamino]ethyl]carbamate
CID 130442812
[2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-[2-amino-1-(3-fluorophenyl)ethyl]carbamate
CID 130442813

Frequently Asked Questions

What is the IUPAC name of [3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-(4-fluorophenyl)carbamate?
The IUPAC name of [3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-(4-fluorophenyl)carbamate (CID 130442808) is [3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-(4-fluorophenyl)carbamate.
What is the SMILES notation for [3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-(4-fluorophenyl)carbamate?
The canonical SMILES for [3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-(4-fluorophenyl)carbamate is O=C(Nc1ccc(F)cc1)Oc1sccc1Nc1ccnc2[nH]ccc12.
What is the InChIKey of [3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-(4-fluorophenyl)carbamate?
The InChIKey is ACMBJIMJSGDXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2S/c19-11-1-3-12(4-2-11)22-18(24)25-17-15(7-10-26-17)23-14-6-9-21-16-13(14)5-8-20-16/h1-10H,(H,22,24)(H2,20,21,23).
What are the key properties of [3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-(4-fluorophenyl)carbamate?
[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-(4-fluorophenyl)carbamate has a molecular weight of 368.39 g/mol, XLogP of 5.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 130442808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).