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

C21H21N5O — CID 58135467

IUPACN-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2n[nH]c3cc(-c4cccc(C#N)c4)ccc23)C1
InChIInChI=1S/C21H21N5O/c1-14-4-3-9-26(13-14)21(27)23-20-18-8-7-17(11-19(18)24-25-20)16-6-2-5-15(10-16)12-22/h2,5-8,10-11,14H,3-4,9,13H2,1H3,(H2,23,24,25,27)
InChIKeyJBRBHGVMNNVQRJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.37
Rot. Bonds2

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

N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperidine-1-carboxamide (PubChem CID 58135467) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperidine-1-carboxamide
PubChem CID58135467
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2n[nH]c3cc(-c4cccc(C#N)c4)ccc23)C1
InChIInChI=1S/C21H21N5O/c1-14-4-3-9-26(13-14)21(27)23-20-18-8-7-17(11-19(18)24-25-20)16-6-2-5-15(10-16)12-22/h2,5-8,10-11,14H,3-4,9,13H2,1H3,(H2,23,24,25,27)
InChIKeyJBRBHGVMNNVQRJ-UHFFFAOYSA-N
XLogP4.37
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-phenyl-1H-indazol-3-yl)butyramide
CID 10085013
N-(6-(4-aminophenyl)-1H-indazol-3-yl)butyramide
CID 10085818
Sgc aak1 1
CID 134812845
N-(6-benzyl-1H-indazol-3-yl)butyramide
CID 10266409
N-(6-phenethyl-1H-indazol-3-yl)butyramide
CID 22319484
1-(4-(3-amino-7-((4-methylpiperazin-1-yl)methyl)-1H-indazol-4-yl)phenyl)-3-m-tolylurea
CID 11178869
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-phenylurea
CID 11244819
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(3-ethylphenyl)urea
CID 11268741
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-m-tolylurea
CID 11314310
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-cyclopentylurea
CID 11404903
N-{4-[3-amino-7-(4-morpholinylmethyl)-1H-indazol-4-yl]phenyl}-N''-(3-methylphenyl)urea
CID 11465254
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-o-tolylurea
CID 16124774

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperidine-1-carboxamide (CID 58135467) is N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)Nc2n[nH]c3cc(-c4cccc(C#N)c4)ccc23)C1.
What is the InChIKey of N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperidine-1-carboxamide?
The InChIKey is JBRBHGVMNNVQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-14-4-3-9-26(13-14)21(27)23-20-18-8-7-17(11-19(18)24-25-20)16-6-2-5-15(10-16)12-22/h2,5-8,10-11,14H,3-4,9,13H2,1H3,(H2,23,24,25,27).
What are the key properties of N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperidine-1-carboxamide?
N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperidine-1-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 58135467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).