6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazine-2-carbonitrile

C21H20ClN9 — CID 137430980

IUPAC6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazine-2-carbonitrile
SMILESCN1CCC(Nc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)C1
InChIInChI=1S/C21H20ClN9/c1-30-5-3-14(11-30)25-21-17(9-23)26-19(20(27-21)16-4-6-31(2)29-16)12-7-13-10-24-28-18(13)15(22)8-12/h4,6-8,10,14H,3,5,11H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyYAKNOERWUWLOMN-UHFFFAOYSA-N
MW433.91 g/mol
LogP3.06
Rot. Bonds4

About 6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazine-2-carbonitrile

6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazine-2-carbonitrile (PubChem CID 137430980) has the molecular formula C21H20ClN9 and a molecular weight of 433.91 g/mol. Its IUPAC name is 6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazine-2-carbonitrile
PubChem CID137430980
Molecular FormulaC21H20ClN9
Molecular Weight433.91 g/mol
Exact Mass433.15
IUPAC Name6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazine-2-carbonitrile
SMILESCN1CCC(Nc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)C1
InChIInChI=1S/C21H20ClN9/c1-30-5-3-14(11-30)25-21-17(9-23)26-19(20(27-21)16-4-6-31(2)29-16)12-7-13-10-24-28-18(13)15(22)8-12/h4,6-8,10,14H,3,5,11H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyYAKNOERWUWLOMN-UHFFFAOYSA-N
XLogP3.06
TPSA111.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.91
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
(R)-1-(6-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)pyrrolidin-3-amine
CID 71253906
6-chloro-N-(cyclopropylmethyl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine
CID 137333978
5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-3-yl)-1H-indazole
CID 46890954
n-Cyclohexyl-2-(1h-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
CID 25167072
2-(1h-Indazol-5-yl)-n-isopropylimidazo[1,2-a]pyrimidin-3-amine
CID 25167074
n-Butyl-2-(1h-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
CID 25167277
n-(4-Chlorophenyl)-2-(1h-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
CID 25167278
N-(2-chlorophenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 68291448
N-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 76310311
US9777003, Example 172
CID 136963109
Shp2-IN-27
CID 156245410

Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazine-2-carbonitrile (CID 137430980) is 6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazine-2-carbonitrile is CN1CCC(Nc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)C1.
What is the InChIKey of 6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is YAKNOERWUWLOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN9/c1-30-5-3-14(11-30)25-21-17(9-23)26-19(20(27-21)16-4-6-31(2)29-16)12-7-13-10-24-28-18(13)15(22)8-12/h4,6-8,10,14H,3,5,11H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazine-2-carbonitrile?
6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 433.91 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 137430980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).