2-piperidin-4-yl-6-(2H-pyrimidin-1-yl)indazole

C16H19N5 — CID 175423387

IUPAC2-piperidin-4-yl-6-(2H-pyrimidin-1-yl)indazole
SMILESC1=CN(c2ccc3cn(C4CCNCC4)nc3c2)CN=C1
InChIInChI=1S/C16H19N5/c1-6-18-12-20(9-1)15-3-2-13-11-21(19-16(13)10-15)14-4-7-17-8-5-14/h1-3,6,9-11,14,17H,4-5,7-8,12H2
InChIKeyCAINFSUKWUAGQW-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.32
Rot. Bonds2

About 2-piperidin-4-yl-6-(2H-pyrimidin-1-yl)indazole

2-piperidin-4-yl-6-(2H-pyrimidin-1-yl)indazole (PubChem CID 175423387) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-piperidin-4-yl-6-(2H-pyrimidin-1-yl)indazole.

Molecular Properties

Compound Name2-piperidin-4-yl-6-(2H-pyrimidin-1-yl)indazole
PubChem CID175423387
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-piperidin-4-yl-6-(2H-pyrimidin-1-yl)indazole
SMILESC1=CN(c2ccc3cn(C4CCNCC4)nc3c2)CN=C1
InChIInChI=1S/C16H19N5/c1-6-18-12-20(9-1)15-3-2-13-11-21(19-16(13)10-15)14-4-7-17-8-5-14/h1-3,6,9-11,14,17H,4-5,7-8,12H2
InChIKeyCAINFSUKWUAGQW-UHFFFAOYSA-N
XLogP2.32
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-piperidin-4-ylindazol-5-yl)pyrimidine-2,4-dione
CID 170350224
5-bromo-6-methoxy-2-piperidin-4-ylindazole
CID 170334625
2-cyclobutylindazol-6-amine
CID 90309050
5-bromo-2-pyrrolidin-3-ylindazole
CID 169087490
2-cyclopentyl-6-propan-2-ylindazole
CID 158645182
6-fluoro-2-[(2R)-piperidin-2-yl]indazole
CID 124678724
4-(4-bromo-3-propan-2-ylpyrazol-1-yl)piperidine
CID 83671733
4-[6-(2,4-dioxo-1,3-diazinan-1-yl)indazol-2-yl]piperidine-1-carboxylic acid
CID 170350438
[4-(5-bromo-6-fluoroindazol-2-yl)cyclohexyl]methanol
CID 155437708
methyl 2-cyclopentylindazole-6-carboxylate
CID 54059647
4-(6-bromoindazol-2-yl)piperidine-1-carboxylic acid
CID 170350484
2-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 158482410

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-6-(2H-pyrimidin-1-yl)indazole?
The IUPAC name of 2-piperidin-4-yl-6-(2H-pyrimidin-1-yl)indazole (CID 175423387) is 2-piperidin-4-yl-6-(2H-pyrimidin-1-yl)indazole.
What is the SMILES notation for 2-piperidin-4-yl-6-(2H-pyrimidin-1-yl)indazole?
The canonical SMILES for 2-piperidin-4-yl-6-(2H-pyrimidin-1-yl)indazole is C1=CN(c2ccc3cn(C4CCNCC4)nc3c2)CN=C1.
What is the InChIKey of 2-piperidin-4-yl-6-(2H-pyrimidin-1-yl)indazole?
The InChIKey is CAINFSUKWUAGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-6-18-12-20(9-1)15-3-2-13-11-21(19-16(13)10-15)14-4-7-17-8-5-14/h1-3,6,9-11,14,17H,4-5,7-8,12H2.
What are the key properties of 2-piperidin-4-yl-6-(2H-pyrimidin-1-yl)indazole?
2-piperidin-4-yl-6-(2H-pyrimidin-1-yl)indazole has a molecular weight of 281.36 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-6-(2H-pyrimidin-1-yl)indazole is sourced from PubChem (CID 175423387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).