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

C17H19N5O2S — CID 130442882

IUPAC[2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-piperidin-3-ylcarbamate
SMILESO=C(NC1CCCNC1)Oc1ccsc1Nc1ccnc2[nH]ccc12
InChIInChI=1S/C17H19N5O2S/c23-17(21-11-2-1-6-18-10-11)24-14-5-9-25-16(14)22-13-4-8-20-15-12(13)3-7-19-15/h3-5,7-9,11,18H,1-2,6,10H2,(H,21,23)(H2,19,20,22)
InChIKeyKPZGDPAZJWGXEE-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.21
Rot. Bonds4

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

[2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-piperidin-3-ylcarbamate (PubChem CID 130442882) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is [2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-piperidin-3-ylcarbamate.

Molecular Properties

Compound Name[2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-piperidin-3-ylcarbamate
PubChem CID130442882
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name[2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-piperidin-3-ylcarbamate
SMILESO=C(NC1CCCNC1)Oc1ccsc1Nc1ccnc2[nH]ccc12
InChIInChI=1S/C17H19N5O2S/c23-17(21-11-2-1-6-18-10-11)24-14-5-9-25-16(14)22-13-4-8-20-15-12(13)3-7-19-15/h3-5,7-9,11,18H,1-2,6,10H2,(H,21,23)(H2,19,20,22)
InChIKeyKPZGDPAZJWGXEE-UHFFFAOYSA-N
XLogP3.21
TPSA91.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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-piperidin-3-ylcarbamate?
The IUPAC name of [2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-piperidin-3-ylcarbamate (CID 130442882) is [2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-piperidin-3-ylcarbamate.
What is the SMILES notation for [2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-piperidin-3-ylcarbamate?
The canonical SMILES for [2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-piperidin-3-ylcarbamate is O=C(NC1CCCNC1)Oc1ccsc1Nc1ccnc2[nH]ccc12.
What is the InChIKey of [2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-piperidin-3-ylcarbamate?
The InChIKey is KPZGDPAZJWGXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c23-17(21-11-2-1-6-18-10-11)24-14-5-9-25-16(14)22-13-4-8-20-15-12(13)3-7-19-15/h3-5,7-9,11,18H,1-2,6,10H2,(H,21,23)(H2,19,20,22).
What are the key properties of [2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-piperidin-3-ylcarbamate?
[2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-3-yl] N-piperidin-3-ylcarbamate has a molecular weight of 357.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 4 hydrogen bond donors, and 6 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-piperidin-3-ylcarbamate is sourced from PubChem (CID 130442882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).