[4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

C20H23N7O — CID 29150845

IUPAC[4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCC(n2cc(-c3ccncc3)nn2)CC1
InChIInChI=1S/C20H23N7O/c28-20(19-16-3-1-2-4-17(16)22-24-19)26-11-7-15(8-12-26)27-13-18(23-25-27)14-5-9-21-10-6-14/h5-6,9-10,13,15H,1-4,7-8,11-12H2,(H,22,24)
InChIKeyAWSBZYGVLYTACV-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.42
Rot. Bonds3

About [4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

[4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (PubChem CID 29150845) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is [4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
PubChem CID29150845
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name[4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCC(n2cc(-c3ccncc3)nn2)CC1
InChIInChI=1S/C20H23N7O/c28-20(19-16-3-1-2-4-17(16)22-24-19)26-11-7-15(8-12-26)27-13-18(23-25-27)14-5-9-21-10-6-14/h5-6,9-10,13,15H,1-4,7-8,11-12H2,(H,22,24)
InChIKeyAWSBZYGVLYTACV-UHFFFAOYSA-N
XLogP2.42
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-1-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]triazole-4-carboxamide
CID 56708665
[4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 29000933
(4-imidazol-1-ylpiperidin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 138993158
(3-aminopyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 112708550
(4-phenylazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 77090678
1-[4-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 75489364
(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 53017418
(2-pyridin-4-ylazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 102554294
(3-hydroxypiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110889660
[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 124966908
[4-[2-(cyclopentylmethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 42209923
furan-3-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 134712403

Frequently Asked Questions

What is the IUPAC name of [4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The IUPAC name of [4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (CID 29150845) is [4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.
What is the SMILES notation for [4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The canonical SMILES for [4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is O=C(c1n[nH]c2c1CCCC2)N1CCC(n2cc(-c3ccncc3)nn2)CC1.
What is the InChIKey of [4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The InChIKey is AWSBZYGVLYTACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c28-20(19-16-3-1-2-4-17(16)22-24-19)26-11-7-15(8-12-26)27-13-18(23-25-27)14-5-9-21-10-6-14/h5-6,9-10,13,15H,1-4,7-8,11-12H2,(H,22,24).
What are the key properties of [4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
[4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone has a molecular weight of 377.45 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 29150845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).