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

C19H16N4O2S — CID 130442846

IUPAC[2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-benzylcarbamate
SMILESO=C(NCc1ccccc1)Oc1ccsc1Nc1ccnc2[nH]ccc12
InChIInChI=1S/C19H16N4O2S/c24-19(22-12-13-4-2-1-3-5-13)25-16-8-11-26-18(16)23-15-7-10-21-17-14(15)6-9-20-17/h1-11H,12H2,(H,22,24)(H2,20,21,23)
InChIKeyVXZSXDKYFARRLY-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.66
Rot. Bonds5

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

[2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-benzylcarbamate (PubChem CID 130442846) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is [2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-benzylcarbamate.

Molecular Properties

Compound Name[2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-benzylcarbamate
PubChem CID130442846
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name[2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-benzylcarbamate
SMILESO=C(NCc1ccccc1)Oc1ccsc1Nc1ccnc2[nH]ccc12
InChIInChI=1S/C19H16N4O2S/c24-19(22-12-13-4-2-1-3-5-13)25-16-8-11-26-18(16)23-15-7-10-21-17-14(15)6-9-20-17/h1-11H,12H2,(H,22,24)(H2,20,21,23)
InChIKeyVXZSXDKYFARRLY-UHFFFAOYSA-N
XLogP4.66
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-benzylcarbamate?
The IUPAC name of [2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-benzylcarbamate (CID 130442846) is [2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-benzylcarbamate.
What is the SMILES notation for [2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-benzylcarbamate?
The canonical SMILES for [2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-benzylcarbamate is O=C(NCc1ccccc1)Oc1ccsc1Nc1ccnc2[nH]ccc12.
What is the InChIKey of [2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-benzylcarbamate?
The InChIKey is VXZSXDKYFARRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c24-19(22-12-13-4-2-1-3-5-13)25-16-8-11-26-18(16)23-15-7-10-21-17-14(15)6-9-20-17/h1-11H,12H2,(H,22,24)(H2,20,21,23).
What are the key properties of [2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-benzylcarbamate?
[2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-benzylcarbamate has a molecular weight of 364.43 g/mol, XLogP of 4.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-benzylcarbamate is sourced from PubChem (CID 130442846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).