[3-(imidazol-1-ylmethyl)piperidin-1-yl]-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]methanone

C25H24N8O — CID 57404825

IUPAC[3-(imidazol-1-ylmethyl)piperidin-1-yl]-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]methanone
SMILESO=C(c1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1)N1CCCC(Cn2ccnc2)C1
InChIInChI=1S/C25H24N8O/c34-25(32-12-3-4-18(15-32)14-31-13-11-26-17-31)19-7-9-20(10-8-19)33-16-23(28-30-33)24-21-5-1-2-6-22(21)27-29-24/h1-2,5-11,13,16-18H,3-4,12,14-15H2,(H,27,29)
InChIKeyRPFBYLSXTNRWMW-UHFFFAOYSA-N
MW452.52 g/mol
LogP3.56
Rot. Bonds5

About [3-(imidazol-1-ylmethyl)piperidin-1-yl]-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]methanone

[3-(imidazol-1-ylmethyl)piperidin-1-yl]-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]methanone (PubChem CID 57404825) has the molecular formula C25H24N8O and a molecular weight of 452.52 g/mol. Its IUPAC name is [3-(imidazol-1-ylmethyl)piperidin-1-yl]-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]methanone.

Molecular Properties

Compound Name[3-(imidazol-1-ylmethyl)piperidin-1-yl]-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]methanone
PubChem CID57404825
Molecular FormulaC25H24N8O
Molecular Weight452.52 g/mol
Exact Mass452.21
IUPAC Name[3-(imidazol-1-ylmethyl)piperidin-1-yl]-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]methanone
SMILESO=C(c1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1)N1CCCC(Cn2ccnc2)C1
InChIInChI=1S/C25H24N8O/c34-25(32-12-3-4-18(15-32)14-31-13-11-26-17-31)19-7-9-20(10-8-19)33-16-23(28-30-33)24-21-5-1-2-6-22(21)27-29-24/h1-2,5-11,13,16-18H,3-4,12,14-15H2,(H,27,29)
InChIKeyRPFBYLSXTNRWMW-UHFFFAOYSA-N
XLogP3.56
TPSA97.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-(imidazol-1-ylmethyl)piperidin-1-yl]-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]methanone with MolForge

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Related Compounds

[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 96575104
[5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 126431232
[6-(azepan-1-yl)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 45228830
(2-hydroxy-5-pyrrol-1-ylphenyl)-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95200466
[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 97116810
[4-[4-[5-[(3-hydroxyazetidin-1-yl)methyl]-1H-indazol-3-yl]triazol-1-yl]phenyl]-morpholin-4-ylmethanone
CID 57406020
[3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone
CID 90650856
[6-(2-hydroxyethylamino)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 56748072
[3-(imidazol-1-ylmethyl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 56757255
[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 95225853
3-[1-[4-[(3S)-3-aminopiperidine-1-carbonyl]phenyl]triazol-4-yl]-6,7-difluoro-1H-quinolin-2-one;hydrochloride
CID 130228571
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 95313752

Frequently Asked Questions

What is the IUPAC name of [3-(imidazol-1-ylmethyl)piperidin-1-yl]-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]methanone?
The IUPAC name of [3-(imidazol-1-ylmethyl)piperidin-1-yl]-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]methanone (CID 57404825) is [3-(imidazol-1-ylmethyl)piperidin-1-yl]-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]methanone.
What is the SMILES notation for [3-(imidazol-1-ylmethyl)piperidin-1-yl]-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]methanone?
The canonical SMILES for [3-(imidazol-1-ylmethyl)piperidin-1-yl]-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]methanone is O=C(c1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1)N1CCCC(Cn2ccnc2)C1.
What is the InChIKey of [3-(imidazol-1-ylmethyl)piperidin-1-yl]-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]methanone?
The InChIKey is RPFBYLSXTNRWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O/c34-25(32-12-3-4-18(15-32)14-31-13-11-26-17-31)19-7-9-20(10-8-19)33-16-23(28-30-33)24-21-5-1-2-6-22(21)27-29-24/h1-2,5-11,13,16-18H,3-4,12,14-15H2,(H,27,29).
What are the key properties of [3-(imidazol-1-ylmethyl)piperidin-1-yl]-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]methanone?
[3-(imidazol-1-ylmethyl)piperidin-1-yl]-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]methanone has a molecular weight of 452.52 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(imidazol-1-ylmethyl)piperidin-1-yl]-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]methanone is sourced from PubChem (CID 57404825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).