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

C18H30N4O — CID 95610494

IUPAC(2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(C[C@@H](O)CN2CCc3c(ncn3C3CC3)C2)CC1
InChIInChI=1S/C18H30N4O/c1-14-4-7-20(8-5-14)10-16(23)11-21-9-6-18-17(12-21)19-13-22(18)15-2-3-15/h13-16,23H,2-12H2,1H3/t16-/m1/s1
InChIKeyPGMSTBSVYYFGHF-MRXNPFEDSA-N
MW318.47 g/mol
LogP1.67
Rot. Bonds5

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

(2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 95610494) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is (2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID95610494
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name(2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(C[C@@H](O)CN2CCc3c(ncn3C3CC3)C2)CC1
InChIInChI=1S/C18H30N4O/c1-14-4-7-20(8-5-14)10-16(23)11-21-9-6-18-17(12-21)19-13-22(18)15-2-3-15/h13-16,23H,2-12H2,1H3/t16-/m1/s1
InChIKeyPGMSTBSVYYFGHF-MRXNPFEDSA-N
XLogP1.67
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 95610494) is (2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol is CC1CCN(C[C@@H](O)CN2CCc3c(ncn3C3CC3)C2)CC1.
What is the InChIKey of (2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is PGMSTBSVYYFGHF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H30N4O/c1-14-4-7-20(8-5-14)10-16(23)11-21-9-6-18-17(12-21)19-13-22(18)15-2-3-15/h13-16,23H,2-12H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
(2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 318.47 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 95610494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).