[5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone

C18H28N4O — CID 118742973

IUPAC[5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)n1cnc2c1C(C(=O)N1CCCC1)N(CC1CC1)CC2
InChIInChI=1S/C18H28N4O/c1-13(2)22-12-19-15-7-10-21(11-14-5-6-14)17(16(15)22)18(23)20-8-3-4-9-20/h12-14,17H,3-11H2,1-2H3
InChIKeySMWMIIWJTMLDQI-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.40
Rot. Bonds4

About [5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone

[5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 118742973) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is [5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID118742973
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name[5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)n1cnc2c1C(C(=O)N1CCCC1)N(CC1CC1)CC2
InChIInChI=1S/C18H28N4O/c1-13(2)22-12-19-15-7-10-21(11-14-5-6-14)17(16(15)22)18(23)20-8-3-4-9-20/h12-14,17H,3-11H2,1-2H3
InChIKeySMWMIIWJTMLDQI-UHFFFAOYSA-N
XLogP2.40
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(6S)-5-(cyclopropylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone
CID 25338909
2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 53568118
N-cyclopentyl-3-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propanamide
CID 53572977
3-cyclopropyl-5-[1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethyl]-1,2,4-oxadiazole
CID 53578438
1-(4-acetylpiperazin-1-yl)-2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone
CID 53609869
2-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 71932688
(5-methyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-pyrrolidin-1-ylmethanone
CID 97524849
[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 118738867
(5-methylsulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 118738878
cyclopropyl-[2-(2-methylpiperidine-1-carbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 118738892
3,5-di(propan-2-yl)-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 118738970
3-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 118738971

Frequently Asked Questions

What is the IUPAC name of [5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone (CID 118742973) is [5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone is CC(C)n1cnc2c1C(C(=O)N1CCCC1)N(CC1CC1)CC2.
What is the InChIKey of [5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is SMWMIIWJTMLDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-13(2)22-12-19-15-7-10-21(11-14-5-6-14)17(16(15)22)18(23)20-8-3-4-9-20/h12-14,17H,3-11H2,1-2H3.
What are the key properties of [5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone?
[5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 316.45 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 118742973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).