3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrol-3-yl)-5-phenylpyrazine-2-carboxamide

C23H18ClN7O — CID 137430935

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrol-3-yl)-5-phenylpyrazine-2-carboxamide
SMILESCn1ccc(NC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)c1
InChIInChI=1S/C23H18ClN7O/c1-31-8-7-16(12-31)27-23(32)21-22(25)29-19(13-5-3-2-4-6-13)20(28-21)14-9-15-11-26-30-18(15)17(24)10-14/h2-12H,1H3,(H2,25,29)(H,26,30)(H,27,32)
InChIKeyBOFMKOFBGRGPSD-UHFFFAOYSA-N
MW443.90 g/mol
LogP4.51
Rot. Bonds4

About 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrol-3-yl)-5-phenylpyrazine-2-carboxamide

3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrol-3-yl)-5-phenylpyrazine-2-carboxamide (PubChem CID 137430935) has the molecular formula C23H18ClN7O and a molecular weight of 443.90 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrol-3-yl)-5-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrol-3-yl)-5-phenylpyrazine-2-carboxamide
PubChem CID137430935
Molecular FormulaC23H18ClN7O
Molecular Weight443.90 g/mol
Exact Mass443.13
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrol-3-yl)-5-phenylpyrazine-2-carboxamide
SMILESCn1ccc(NC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)c1
InChIInChI=1S/C23H18ClN7O/c1-31-8-7-16(12-31)27-23(32)21-22(25)29-19(13-5-3-2-4-6-13)20(28-21)14-9-15-11-26-30-18(15)17(24)10-14/h2-12H,1H3,(H2,25,29)(H,26,30)(H,27,32)
InChIKeyBOFMKOFBGRGPSD-UHFFFAOYSA-N
XLogP4.51
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.90
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-1-en-2-ylpyrazin-2-amine
CID 137431040
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide
CID 137430364
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-methoxy-6-phenylpyrazin-2-amine
CID 137430974
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 154604721
3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide
CID 137430443
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one
CID 137430965
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-2-enylpyrazin-2-amine
CID 137431036
5-(7-chloro-1H-indazol-5-yl)-3-N-cyclohexyl-6-phenylpyrazine-2,3-diamine
CID 137431895
5-(7-chloro-1H-indazol-5-yl)-3-cyclohexylsulfanyl-6-phenylpyrazin-2-amine
CID 137430826
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine
CID 137431644

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrol-3-yl)-5-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrol-3-yl)-5-phenylpyrazine-2-carboxamide (CID 137430935) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrol-3-yl)-5-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrol-3-yl)-5-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrol-3-yl)-5-phenylpyrazine-2-carboxamide is Cn1ccc(NC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)c1.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrol-3-yl)-5-phenylpyrazine-2-carboxamide?
The InChIKey is BOFMKOFBGRGPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN7O/c1-31-8-7-16(12-31)27-23(32)21-22(25)29-19(13-5-3-2-4-6-13)20(28-21)14-9-15-11-26-30-18(15)17(24)10-14/h2-12H,1H3,(H2,25,29)(H,26,30)(H,27,32).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrol-3-yl)-5-phenylpyrazine-2-carboxamide?
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrol-3-yl)-5-phenylpyrazine-2-carboxamide has a molecular weight of 443.90 g/mol, XLogP of 4.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrol-3-yl)-5-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 137430935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).