2-[4-(5-methoxy-1H-indazole-3-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile

C19H18N6O2 — CID 166265290

IUPAC2-[4-(5-methoxy-1H-indazole-3-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
SMILESCOc1ccc2[nH]nc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)c2c1
InChIInChI=1S/C19H18N6O2/c1-27-14-2-3-16-15(11-14)18(23-22-16)19(26)25-8-6-24(7-9-25)17-10-13(12-20)4-5-21-17/h2-5,10-11H,6-9H2,1H3,(H,22,23)
InChIKeyQLNBTEJLWAQZFK-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.80
Rot. Bonds3

About 2-[4-(5-methoxy-1H-indazole-3-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile

2-[4-(5-methoxy-1H-indazole-3-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 166265290) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-[4-(5-methoxy-1H-indazole-3-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(5-methoxy-1H-indazole-3-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID166265290
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name2-[4-(5-methoxy-1H-indazole-3-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
SMILESCOc1ccc2[nH]nc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)c2c1
InChIInChI=1S/C19H18N6O2/c1-27-14-2-3-16-15(11-14)18(23-22-16)19(26)25-8-6-24(7-9-25)17-10-13(12-20)4-5-21-17/h2-5,10-11H,6-9H2,1H3,(H,22,23)
InChIKeyQLNBTEJLWAQZFK-UHFFFAOYSA-N
XLogP1.80
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
8-(5-methoxy-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70752123
2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 167778065
(5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 78858969
[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 146115195
2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 119112234
N-[2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 55550122
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 43521668
tert-butyl 4-(4-cyano-2-pyridinyl)-1,4-diazepane-1-carboxylate
CID 75365577
2-[4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 95573247
2-[4-[[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 24663866
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 34010287

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methoxy-1H-indazole-3-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(5-methoxy-1H-indazole-3-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile (CID 166265290) is 2-[4-(5-methoxy-1H-indazole-3-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(5-methoxy-1H-indazole-3-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(5-methoxy-1H-indazole-3-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile is COc1ccc2[nH]nc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)c2c1.
What is the InChIKey of 2-[4-(5-methoxy-1H-indazole-3-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is QLNBTEJLWAQZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-27-14-2-3-16-15(11-14)18(23-22-16)19(26)25-8-6-24(7-9-25)17-10-13(12-20)4-5-21-17/h2-5,10-11H,6-9H2,1H3,(H,22,23).
What are the key properties of 2-[4-(5-methoxy-1H-indazole-3-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-(5-methoxy-1H-indazole-3-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 362.39 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methoxy-1H-indazole-3-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 166265290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).