N-[[4-hydroxy-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide

C21H32N4O3 — CID 127039168

IUPACN-[[4-hydroxy-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)c1nc(C(=O)NCC2(O)CCN(CC(C)(C)O)CC2)c2ccccn12
InChIInChI=1S/C21H32N4O3/c1-15(2)18-23-17(16-7-5-6-10-25(16)18)19(26)22-13-21(28)8-11-24(12-9-21)14-20(3,4)27/h5-7,10,15,27-28H,8-9,11-14H2,1-4H3,(H,22,26)
InChIKeyKYOKSQLSUVBWMB-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.79
Rot. Bonds6

About N-[[4-hydroxy-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide

N-[[4-hydroxy-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 127039168) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[[4-hydroxy-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-hydroxy-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID127039168
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC NameN-[[4-hydroxy-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)c1nc(C(=O)NCC2(O)CCN(CC(C)(C)O)CC2)c2ccccn12
InChIInChI=1S/C21H32N4O3/c1-15(2)18-23-17(16-7-5-6-10-25(16)18)19(26)22-13-21(28)8-11-24(12-9-21)14-20(3,4)27/h5-7,10,15,27-28H,8-9,11-14H2,1-4H3,(H,22,26)
InChIKeyKYOKSQLSUVBWMB-UHFFFAOYSA-N
XLogP1.79
TPSA90.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-hydroxy-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[[4-hydroxy-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (CID 127039168) is N-[[4-hydroxy-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[[4-hydroxy-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[[4-hydroxy-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is CC(C)c1nc(C(=O)NCC2(O)CCN(CC(C)(C)O)CC2)c2ccccn12.
What is the InChIKey of N-[[4-hydroxy-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is KYOKSQLSUVBWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-15(2)18-23-17(16-7-5-6-10-25(16)18)19(26)22-13-21(28)8-11-24(12-9-21)14-20(3,4)27/h5-7,10,15,27-28H,8-9,11-14H2,1-4H3,(H,22,26).
What are the key properties of N-[[4-hydroxy-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
N-[[4-hydroxy-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-hydroxy-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 127039168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).