cyclopropyl-[1-methyl-2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

C16H22N4O2 — CID 97442626

IUPACcyclopropyl-[1-methyl-2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESCn1c(C(=O)N2CCCC2)nc2c1CCN(C(=O)C1CC1)C2
InChIInChI=1S/C16H22N4O2/c1-18-13-6-9-20(15(21)11-4-5-11)10-12(13)17-14(18)16(22)19-7-2-3-8-19/h11H,2-10H2,1H3
InChIKeyKSQDOZOEHQNMHA-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.95
Rot. Bonds2

About cyclopropyl-[1-methyl-2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

cyclopropyl-[1-methyl-2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 97442626) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is cyclopropyl-[1-methyl-2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-methyl-2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID97442626
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Namecyclopropyl-[1-methyl-2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESCn1c(C(=O)N2CCCC2)nc2c1CCN(C(=O)C1CC1)C2
InChIInChI=1S/C16H22N4O2/c1-18-13-6-9-20(15(21)11-4-5-11)10-12(13)17-14(18)16(22)19-7-2-3-8-19/h11H,2-10H2,1H3
InChIKeyKSQDOZOEHQNMHA-UHFFFAOYSA-N
XLogP0.95
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-methyl-2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of cyclopropyl-[1-methyl-2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (CID 97442626) is cyclopropyl-[1-methyl-2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-methyl-2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for cyclopropyl-[1-methyl-2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is Cn1c(C(=O)N2CCCC2)nc2c1CCN(C(=O)C1CC1)C2.
What is the InChIKey of cyclopropyl-[1-methyl-2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is KSQDOZOEHQNMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-18-13-6-9-20(15(21)11-4-5-11)10-12(13)17-14(18)16(22)19-7-2-3-8-19/h11H,2-10H2,1H3.
What are the key properties of cyclopropyl-[1-methyl-2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
cyclopropyl-[1-methyl-2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 302.38 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-methyl-2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 97442626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).