(5-chloro-1H-indol-2-yl)-[(3S)-3-imidazo[4,5-b]pyridin-3-ylpyrrolidin-1-yl]methanone

C19H16ClN5O — CID 95826236

IUPAC(5-chloro-1H-indol-2-yl)-[(3S)-3-imidazo[4,5-b]pyridin-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CC[C@H](n2cnc3cccnc32)C1
InChIInChI=1S/C19H16ClN5O/c20-13-3-4-15-12(8-13)9-17(23-15)19(26)24-7-5-14(10-24)25-11-22-16-2-1-6-21-18(16)25/h1-4,6,8-9,11,14,23H,5,7,10H2/t14-/m0/s1
InChIKeyZYGWIMLJUKGUAT-AWEZNQCLSA-N
MW365.82 g/mol
LogP3.65
Rot. Bonds2

About (5-chloro-1H-indol-2-yl)-[(3S)-3-imidazo[4,5-b]pyridin-3-ylpyrrolidin-1-yl]methanone

(5-chloro-1H-indol-2-yl)-[(3S)-3-imidazo[4,5-b]pyridin-3-ylpyrrolidin-1-yl]methanone (PubChem CID 95826236) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-[(3S)-3-imidazo[4,5-b]pyridin-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-[(3S)-3-imidazo[4,5-b]pyridin-3-ylpyrrolidin-1-yl]methanone
PubChem CID95826236
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC Name(5-chloro-1H-indol-2-yl)-[(3S)-3-imidazo[4,5-b]pyridin-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CC[C@H](n2cnc3cccnc32)C1
InChIInChI=1S/C19H16ClN5O/c20-13-3-4-15-12(8-13)9-17(23-15)19(26)24-7-5-14(10-24)25-11-22-16-2-1-6-21-18(16)25/h1-4,6,8-9,11,14,23H,5,7,10H2/t14-/m0/s1
InChIKeyZYGWIMLJUKGUAT-AWEZNQCLSA-N
XLogP3.65
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-1H-indol-2-yl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95826223
(5-methoxy-1H-indol-2-yl)-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 110257772
(5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 46556347
N-(5-chloro-2-methylphenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide
CID 46286530
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
[1-(4-chlorophenyl)cyclobutyl]-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)methanone
CID 16674629
[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
CID 95826190
[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 95826189
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-chloro-1H-indol-2-yl)methanone
CID 58646827
(3-chlorophenyl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108267
tert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate
CID 11255100
(6-chloro-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 110888104

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-2-yl)-[(3S)-3-imidazo[4,5-b]pyridin-3-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-[(3S)-3-imidazo[4,5-b]pyridin-3-ylpyrrolidin-1-yl]methanone (CID 95826236) is (5-chloro-1H-indol-2-yl)-[(3S)-3-imidazo[4,5-b]pyridin-3-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-[(3S)-3-imidazo[4,5-b]pyridin-3-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-[(3S)-3-imidazo[4,5-b]pyridin-3-ylpyrrolidin-1-yl]methanone is O=C(c1cc2cc(Cl)ccc2[nH]1)N1CC[C@H](n2cnc3cccnc32)C1.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-[(3S)-3-imidazo[4,5-b]pyridin-3-ylpyrrolidin-1-yl]methanone?
The InChIKey is ZYGWIMLJUKGUAT-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H16ClN5O/c20-13-3-4-15-12(8-13)9-17(23-15)19(26)24-7-5-14(10-24)25-11-22-16-2-1-6-21-18(16)25/h1-4,6,8-9,11,14,23H,5,7,10H2/t14-/m0/s1.
What are the key properties of (5-chloro-1H-indol-2-yl)-[(3S)-3-imidazo[4,5-b]pyridin-3-ylpyrrolidin-1-yl]methanone?
(5-chloro-1H-indol-2-yl)-[(3S)-3-imidazo[4,5-b]pyridin-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 365.82 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-2-yl)-[(3S)-3-imidazo[4,5-b]pyridin-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 95826236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).