(3S)-N-tert-butyl-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide

C19H23N5OS — CID 95108499

IUPAC(3S)-N-tert-butyl-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC[C@H](n2c(-c3ccsc3)nc3cccnc32)C1
InChIInChI=1S/C19H23N5OS/c1-19(2,3)22-18(25)23-9-6-14(11-23)24-16(13-7-10-26-12-13)21-15-5-4-8-20-17(15)24/h4-5,7-8,10,12,14H,6,9,11H2,1-3H3,(H,22,25)/t14-/m0/s1
InChIKeyYGORESAHEWNHIN-AWEZNQCLSA-N
MW369.49 g/mol
LogP3.91
Rot. Bonds2

About (3S)-N-tert-butyl-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide

(3S)-N-tert-butyl-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide (PubChem CID 95108499) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is (3S)-N-tert-butyl-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-tert-butyl-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
PubChem CID95108499
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name(3S)-N-tert-butyl-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC[C@H](n2c(-c3ccsc3)nc3cccnc32)C1
InChIInChI=1S/C19H23N5OS/c1-19(2,3)22-18(25)23-9-6-14(11-23)24-16(13-7-10-26-12-13)21-15-5-4-8-20-17(15)24/h4-5,7-8,10,12,14H,6,9,11H2,1-3H3,(H,22,25)/t14-/m0/s1
InChIKeyYGORESAHEWNHIN-AWEZNQCLSA-N
XLogP3.91
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

thiophen-3-yl-[(3S)-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108348
N-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050875
2-thiophen-3-yl-3-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97416512
N-(3-methoxypropyl)-3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 53186934
ethyl 2-[[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 95108474
N-cyclohexyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 53186925
ethyl 2-[[(3S)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 95108456
1-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 53186771
2-ethoxy-1-[(3R)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]ethanone
CID 95108322
N-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 44522159
N-(3-fluoro-4-methoxyphenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050906
4-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide
CID 46286561

Frequently Asked Questions

What is the IUPAC name of (3S)-N-tert-butyl-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-tert-butyl-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide (CID 95108499) is (3S)-N-tert-butyl-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-tert-butyl-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-tert-butyl-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide is CC(C)(C)NC(=O)N1CC[C@H](n2c(-c3ccsc3)nc3cccnc32)C1.
What is the InChIKey of (3S)-N-tert-butyl-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is YGORESAHEWNHIN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-19(2,3)22-18(25)23-9-6-14(11-23)24-16(13-7-10-26-12-13)21-15-5-4-8-20-17(15)24/h4-5,7-8,10,12,14H,6,9,11H2,1-3H3,(H,22,25)/t14-/m0/s1.
What are the key properties of (3S)-N-tert-butyl-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide?
(3S)-N-tert-butyl-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-tert-butyl-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95108499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).