N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperazine-1-carboxamide

C20H20N6O — CID 70795330

IUPACN-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)Nc2n[nH]c3cc(-c4cccc(C#N)c4)ccc23)CCN1
InChIInChI=1S/C20H20N6O/c1-13-12-26(8-7-22-13)20(27)23-19-17-6-5-16(10-18(17)24-25-19)15-4-2-3-14(9-15)11-21/h2-6,9-10,13,22H,7-8,12H2,1H3,(H2,23,24,25,27)
InChIKeyPRKXRQXCJWZAOF-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.93
Rot. Bonds2

About N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperazine-1-carboxamide

N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperazine-1-carboxamide (PubChem CID 70795330) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperazine-1-carboxamide
PubChem CID70795330
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)Nc2n[nH]c3cc(-c4cccc(C#N)c4)ccc23)CCN1
InChIInChI=1S/C20H20N6O/c1-13-12-26(8-7-22-13)20(27)23-19-17-6-5-16(10-18(17)24-25-19)15-4-2-3-14(9-15)11-21/h2-6,9-10,13,22H,7-8,12H2,1H3,(H2,23,24,25,27)
InChIKeyPRKXRQXCJWZAOF-UHFFFAOYSA-N
XLogP2.93
TPSA96.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperazine-1-carboxamide?
The IUPAC name of N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperazine-1-carboxamide (CID 70795330) is N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperazine-1-carboxamide is CC1CN(C(=O)Nc2n[nH]c3cc(-c4cccc(C#N)c4)ccc23)CCN1.
What is the InChIKey of N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperazine-1-carboxamide?
The InChIKey is PRKXRQXCJWZAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13-12-26(8-7-22-13)20(27)23-19-17-6-5-16(10-18(17)24-25-19)15-4-2-3-14(9-15)11-21/h2-6,9-10,13,22H,7-8,12H2,1H3,(H2,23,24,25,27).
What are the key properties of N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperazine-1-carboxamide?
N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperazine-1-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.93, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperazine-1-carboxamide is sourced from PubChem (CID 70795330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).