[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone

C18H31N5O — CID 118738867

IUPAC[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCC(C)N1CCc2ncn(C(C)C)c2C1C(=O)N1CCN(C)CC1
InChIInChI=1S/C18H31N5O/c1-13(2)22-7-6-15-16(23(12-19-15)14(3)4)17(22)18(24)21-10-8-20(5)9-11-21/h12-14,17H,6-11H2,1-5H3
InChIKeyVBJFFAHYBXVEPO-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.55
Rot. Bonds3

About [3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone

[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 118738867) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is [3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID118738867
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCC(C)N1CCc2ncn(C(C)C)c2C1C(=O)N1CCN(C)CC1
InChIInChI=1S/C18H31N5O/c1-13(2)22-7-6-15-16(23(12-19-15)14(3)4)17(22)18(24)21-10-8-20(5)9-11-21/h12-14,17H,6-11H2,1-5H3
InChIKeyVBJFFAHYBXVEPO-UHFFFAOYSA-N
XLogP1.55
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 118738867) is [3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone is CC(C)N1CCc2ncn(C(C)C)c2C1C(=O)N1CCN(C)CC1.
What is the InChIKey of [3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is VBJFFAHYBXVEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-13(2)22-7-6-15-16(23(12-19-15)14(3)4)17(22)18(24)21-10-8-20(5)9-11-21/h12-14,17H,6-11H2,1-5H3.
What are the key properties of [3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 333.48 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 118738867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).