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

C16H17N5OS — CID 66958088

IUPACN-pyrrolidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
SMILESO=C(NN1CCCC1)c1sccc1Nc1ccnc2[nH]ccc12
InChIInChI=1S/C16H17N5OS/c22-16(20-21-8-1-2-9-21)14-13(5-10-23-14)19-12-4-7-18-15-11(12)3-6-17-15/h3-7,10H,1-2,8-9H2,(H,20,22)(H2,17,18,19)
InChIKeyJBYYMDHJZBYBIX-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.11
Rot. Bonds4

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

N-pyrrolidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide (PubChem CID 66958088) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-pyrrolidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-pyrrolidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
PubChem CID66958088
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-pyrrolidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
SMILESO=C(NN1CCCC1)c1sccc1Nc1ccnc2[nH]ccc12
InChIInChI=1S/C16H17N5OS/c22-16(20-21-8-1-2-9-21)14-13(5-10-23-14)19-12-4-7-18-15-11(12)3-6-17-15/h3-7,10H,1-2,8-9H2,(H,20,22)(H2,17,18,19)
InChIKeyJBYYMDHJZBYBIX-UHFFFAOYSA-N
XLogP3.11
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-piperidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
CID 67959432
N-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
CID 130459068
N-[(1S)-2-amino-1-(3-fluorophenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
CID 50923592
N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide
CID 50923995
2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carbaldehyde
CID 89118347
3-amino-N-piperidin-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 83025024
[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-[(1S)-2-hydroxy-1-phenylethyl]carbamate
CID 130442795
3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)benzoic acid
CID 58086793
[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-[2-[(4-methylphenyl)methylamino]ethyl]carbamate
CID 130442873
1-N-methyl-4-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine
CID 143384741
4-amino-N-piperidin-1-ylpyridine-2-carboxamide
CID 83024182
[3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophen-2-yl] N-[2-(methylamino)-1-phenylethyl]carbamate
CID 130442888

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide?
The IUPAC name of N-pyrrolidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide (CID 66958088) is N-pyrrolidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-pyrrolidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide?
The canonical SMILES for N-pyrrolidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide is O=C(NN1CCCC1)c1sccc1Nc1ccnc2[nH]ccc12.
What is the InChIKey of N-pyrrolidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide?
The InChIKey is JBYYMDHJZBYBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c22-16(20-21-8-1-2-9-21)14-13(5-10-23-14)19-12-4-7-18-15-11(12)3-6-17-15/h3-7,10H,1-2,8-9H2,(H,20,22)(H2,17,18,19).
What are the key properties of N-pyrrolidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide?
N-pyrrolidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide is sourced from PubChem (CID 66958088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).