methyl 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate

C18H23N5O3 — CID 134796420

IUPACmethyl 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)N2CCC(c3nc4ccncc4[nH]3)C2)CC1
InChIInChI=1S/C18H23N5O3/c1-26-18(25)22-7-3-12(4-8-22)17(24)23-9-5-13(11-23)16-20-14-2-6-19-10-15(14)21-16/h2,6,10,12-13H,3-5,7-9,11H2,1H3,(H,20,21)
InChIKeyBAHHOEASTPZQFN-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.75
Rot. Bonds2

About methyl 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate

methyl 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate (PubChem CID 134796420) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
PubChem CID134796420
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Namemethyl 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)N2CCC(c3nc4ccncc4[nH]3)C2)CC1
InChIInChI=1S/C18H23N5O3/c1-26-18(25)22-7-3-12(4-8-22)17(24)23-9-5-13(11-23)16-20-14-2-6-19-10-15(14)21-16/h2,6,10,12-13H,3-5,7-9,11H2,1H3,(H,20,21)
InChIKeyBAHHOEASTPZQFN-UHFFFAOYSA-N
XLogP1.75
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl-[3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 134798256
cyclopentyl-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 134797363
N-(4-chlorophenyl)-3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 134796934
[1-(2-chlorobenzoyl)piperidin-3-yl]-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 134799871
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
(1-benzoylpiperidin-3-yl)-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]methanone
CID 134795960
(2R)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide
CID 134800639
cyclopropyl-[(3S)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone
CID 51137017
2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide
CID 134799475
[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51137015
2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]ethanol
CID 121452087
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 134053570

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate (CID 134796420) is methyl 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate is COC(=O)N1CCC(C(=O)N2CCC(c3nc4ccncc4[nH]3)C2)CC1.
What is the InChIKey of methyl 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate?
The InChIKey is BAHHOEASTPZQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-26-18(25)22-7-3-12(4-8-22)17(24)23-9-5-13(11-23)16-20-14-2-6-19-10-15(14)21-16/h2,6,10,12-13H,3-5,7-9,11H2,1H3,(H,20,21).
What are the key properties of methyl 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate?
methyl 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 134796420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).