[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone

C20H26N4O2 — CID 118787840

IUPAC[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3c4c(nn3C)CCCC4)CC2)nc1
InChIInChI=1S/C20H26N4O2/c1-14-7-8-17(21-13-14)20(26)9-11-24(12-10-20)19(25)18-15-5-3-4-6-16(15)22-23(18)2/h7-8,13,26H,3-6,9-12H2,1-2H3
InChIKeyTVHFNOPIQFBANV-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.13
Rot. Bonds2

About [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone

[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone (PubChem CID 118787840) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
PubChem CID118787840
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3c4c(nn3C)CCCC4)CC2)nc1
InChIInChI=1S/C20H26N4O2/c1-14-7-8-17(21-13-14)20(26)9-11-24(12-10-20)19(25)18-15-5-3-4-6-16(15)22-23(18)2/h7-8,13,26H,3-6,9-12H2,1-2H3
InChIKeyTVHFNOPIQFBANV-UHFFFAOYSA-N
XLogP2.13
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3,7-trimethylindol-2-yl)methanone
CID 56758093
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 163306529
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone
CID 157014393
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone
CID 56754610
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 56740554
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone
CID 56747203
2-amino-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 56747551
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 56741927
8-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 118788671
(4-amino-2-pyridinyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 56752037
(3-amino-1H-pyrazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 56741023
(5R)-7-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 96575416

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone?
The IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone (CID 118787840) is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone.
What is the SMILES notation for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone?
The canonical SMILES for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone is Cc1ccc(C2(O)CCN(C(=O)c3c4c(nn3C)CCCC4)CC2)nc1.
What is the InChIKey of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone?
The InChIKey is TVHFNOPIQFBANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-7-8-17(21-13-14)20(26)9-11-24(12-10-20)19(25)18-15-5-3-4-6-16(15)22-23(18)2/h7-8,13,26H,3-6,9-12H2,1-2H3.
What are the key properties of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone?
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone is sourced from PubChem (CID 118787840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).