N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1-(1-methylpyrazol-4-yl)imidazole-4-carboxamide

C20H24N6O2 — CID 166302363

IUPACN-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1-(1-methylpyrazol-4-yl)imidazole-4-carboxamide
SMILESCn1cc(-n2cnc(C(=O)Nc3cccc(CN4CCC(O)CC4)c3)c2)cn1
InChIInChI=1S/C20H24N6O2/c1-24-12-17(10-22-24)26-13-19(21-14-26)20(28)23-16-4-2-3-15(9-16)11-25-7-5-18(27)6-8-25/h2-4,9-10,12-14,18,27H,5-8,11H2,1H3,(H,23,28)
InChIKeyDKSZFUWSDVTNOW-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.81
Rot. Bonds5

About N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1-(1-methylpyrazol-4-yl)imidazole-4-carboxamide

N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1-(1-methylpyrazol-4-yl)imidazole-4-carboxamide (PubChem CID 166302363) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1-(1-methylpyrazol-4-yl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1-(1-methylpyrazol-4-yl)imidazole-4-carboxamide
PubChem CID166302363
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC NameN-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1-(1-methylpyrazol-4-yl)imidazole-4-carboxamide
SMILESCn1cc(-n2cnc(C(=O)Nc3cccc(CN4CCC(O)CC4)c3)c2)cn1
InChIInChI=1S/C20H24N6O2/c1-24-12-17(10-22-24)26-13-19(21-14-26)20(28)23-16-4-2-3-15(9-16)11-25-7-5-18(27)6-8-25/h2-4,9-10,12-14,18,27H,5-8,11H2,1H3,(H,23,28)
InChIKeyDKSZFUWSDVTNOW-UHFFFAOYSA-N
XLogP1.81
TPSA88.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 131933215
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N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-imidazo[1,5-a]pyridin-7-ylacetamide
CID 167931531
(3R)-N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3-methylsulfanylbutanamide
CID 97244995
1-(5-acetamido-2-pyridinyl)-N-(1-benzylpiperidin-4-yl)imidazole-4-carboxamide
CID 53156847
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chloro-1-methylpyrazole-3-carboxamide
CID 19263693
5-(4-chlorophenyl)-N-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
CID 46952038
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
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1-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 86839426
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide
CID 71916687
N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 110921338
N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-6-ethoxypyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1-(1-methylpyrazol-4-yl)imidazole-4-carboxamide?
The IUPAC name of N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1-(1-methylpyrazol-4-yl)imidazole-4-carboxamide (CID 166302363) is N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1-(1-methylpyrazol-4-yl)imidazole-4-carboxamide.
What is the SMILES notation for N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1-(1-methylpyrazol-4-yl)imidazole-4-carboxamide?
The canonical SMILES for N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1-(1-methylpyrazol-4-yl)imidazole-4-carboxamide is Cn1cc(-n2cnc(C(=O)Nc3cccc(CN4CCC(O)CC4)c3)c2)cn1.
What is the InChIKey of N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1-(1-methylpyrazol-4-yl)imidazole-4-carboxamide?
The InChIKey is DKSZFUWSDVTNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-24-12-17(10-22-24)26-13-19(21-14-26)20(28)23-16-4-2-3-15(9-16)11-25-7-5-18(27)6-8-25/h2-4,9-10,12-14,18,27H,5-8,11H2,1H3,(H,23,28).
What are the key properties of N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1-(1-methylpyrazol-4-yl)imidazole-4-carboxamide?
N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1-(1-methylpyrazol-4-yl)imidazole-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1-(1-methylpyrazol-4-yl)imidazole-4-carboxamide is sourced from PubChem (CID 166302363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).