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

C15H27N5O — CID 56803067

IUPAC1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(CC(O)CN2CCc3c(ncn3C)C2)CC1
InChIInChI=1S/C15H27N5O/c1-17-5-7-19(8-6-17)9-13(21)10-20-4-3-15-14(11-20)16-12-18(15)2/h12-13,21H,3-11H2,1-2H3
InChIKeyMLTUOCASLUJSDF-UHFFFAOYSA-N
MW293.41 g/mol
LogP-0.61
Rot. Bonds4

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

1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol (PubChem CID 56803067) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
PubChem CID56803067
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(CC(O)CN2CCc3c(ncn3C)C2)CC1
InChIInChI=1S/C15H27N5O/c1-17-5-7-19(8-6-17)9-13(21)10-20-4-3-15-14(11-20)16-12-18(15)2/h12-13,21H,3-11H2,1-2H3
InChIKeyMLTUOCASLUJSDF-UHFFFAOYSA-N
XLogP-0.61
TPSA47.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol (CID 56803067) is 1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol is CN1CCN(CC(O)CN2CCc3c(ncn3C)C2)CC1.
What is the InChIKey of 1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is MLTUOCASLUJSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-17-5-7-19(8-6-17)9-13(21)10-20-4-3-15-14(11-20)16-12-18(15)2/h12-13,21H,3-11H2,1-2H3.
What are the key properties of 1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol?
1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 293.41 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 56803067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).