N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide

C22H21ClN6O — CID 137430364

IUPACN-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C22H21ClN6O/c1-22(2,3)21(30)28-20-19(24)26-17(12-7-5-4-6-8-12)18(27-20)13-9-14-11-25-29-16(14)15(23)10-13/h4-11H,1-3H3,(H2,24,26)(H,25,29)(H,27,28,30)
InChIKeyVCFOSAYXYNBTTG-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.91
Rot. Bonds3

About N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide

N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide (PubChem CID 137430364) has the molecular formula C22H21ClN6O and a molecular weight of 420.90 g/mol. Its IUPAC name is N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide
PubChem CID137430364
Molecular FormulaC22H21ClN6O
Molecular Weight420.90 g/mol
Exact Mass420.15
IUPAC NameN-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C22H21ClN6O/c1-22(2,3)21(30)28-20-19(24)26-17(12-7-5-4-6-8-12)18(27-20)13-9-14-11-25-29-16(14)15(23)10-13/h4-11H,1-3H3,(H2,24,26)(H,25,29)(H,27,28,30)
InChIKeyVCFOSAYXYNBTTG-UHFFFAOYSA-N
XLogP4.91
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide
CID 137430477
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide
CID 137430367
5-(7-chloro-1H-indazol-5-yl)-3-N-cyclohexyl-6-phenylpyrazine-2,3-diamine
CID 137431895
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-1-en-2-ylpyrazin-2-amine
CID 137431040
5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine
CID 137430857
5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine
CID 137430974
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrol-3-yl)-5-phenylpyrazine-2-carboxamide
CID 137430935
[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea
CID 137431825
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one
CID 137430965
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]-5-phenylpyrazine-2-carboxamide
CID 137431590
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-2-enylpyrazin-2-amine
CID 137431036
1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea
CID 137431839

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide (CID 137430364) is N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.
What is the InChIKey of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is VCFOSAYXYNBTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O/c1-22(2,3)21(30)28-20-19(24)26-17(12-7-5-4-6-8-12)18(27-20)13-9-14-11-25-29-16(14)15(23)10-13/h4-11H,1-3H3,(H2,24,26)(H,25,29)(H,27,28,30).
What are the key properties of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide?
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 420.90 g/mol, XLogP of 4.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 137430364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).