(2-amino-4-pyridinyl)-[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

C18H22N8O — CID 72853064

IUPAC(2-amino-4-pyridinyl)-[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)c2ccnc(N)c2)CC1
InChIInChI=1S/C18H22N8O/c1-24-16(11-25-9-6-20-12-25)22-23-17(24)13-3-7-26(8-4-13)18(27)14-2-5-21-15(19)10-14/h2,5-6,9-10,12-13H,3-4,7-8,11H2,1H3,(H2,19,21)
InChIKeyODQKFQPFZDOWHH-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.06
Rot. Bonds4

About (2-amino-4-pyridinyl)-[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

(2-amino-4-pyridinyl)-[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 72853064) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)-[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-pyridinyl)-[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID72853064
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name(2-amino-4-pyridinyl)-[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)c2ccnc(N)c2)CC1
InChIInChI=1S/C18H22N8O/c1-24-16(11-25-9-6-20-12-25)22-23-17(24)13-3-7-26(8-4-13)18(27)14-2-5-21-15(19)10-14/h2,5-6,9-10,12-13H,3-4,7-8,11H2,1H3,(H2,19,21)
InChIKeyODQKFQPFZDOWHH-UHFFFAOYSA-N
XLogP1.06
TPSA107.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(4-hydroxyphenyl)-[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 72876928
[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 97201929
[(3S)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 97201930
(4-hydroxyphenyl)-[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 97201120
(3-fluorophenyl)-[(3S)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 97188048
(2-amino-4-pyridinyl)-[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 97198778
(3-amino-1H-pyrazol-5-yl)-[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 72904810
(3-hydroxy-2-pyridinyl)-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 72940615
cycloheptyl-[(3S)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 97191268
(3S)-N-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 97190758
[(3S)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 97203424
4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-[(E)-2-methylbut-2-enyl]piperidine
CID 72855544

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-pyridinyl)-[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-amino-4-pyridinyl)-[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 72853064) is (2-amino-4-pyridinyl)-[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-pyridinyl)-[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-pyridinyl)-[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is Cn1c(Cn2ccnc2)nnc1C1CCN(C(=O)c2ccnc(N)c2)CC1.
What is the InChIKey of (2-amino-4-pyridinyl)-[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is ODQKFQPFZDOWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-24-16(11-25-9-6-20-12-25)22-23-17(24)13-3-7-26(8-4-13)18(27)14-2-5-21-15(19)10-14/h2,5-6,9-10,12-13H,3-4,7-8,11H2,1H3,(H2,19,21).
What are the key properties of (2-amino-4-pyridinyl)-[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
(2-amino-4-pyridinyl)-[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 366.43 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-pyridinyl)-[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72853064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).