3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide

C24H16ClFN6O — CID 137430934

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H16ClFN6O/c25-18-11-14(10-15-12-28-32-19(15)18)21-20(13-4-2-1-3-5-13)31-23(27)22(30-21)24(33)29-17-8-6-16(26)7-9-17/h1-12H,(H2,27,31)(H,28,32)(H,29,33)
InChIKeyZJMSWPRYSFNZKC-UHFFFAOYSA-N
MW458.88 g/mol
LogP5.31
Rot. Bonds4

About 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide

3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide (PubChem CID 137430934) has the molecular formula C24H16ClFN6O and a molecular weight of 458.88 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide
PubChem CID137430934
Molecular FormulaC24H16ClFN6O
Molecular Weight458.88 g/mol
Exact Mass458.11
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H16ClFN6O/c25-18-11-14(10-15-12-28-32-19(15)18)21-20(13-4-2-1-3-5-13)31-23(27)22(30-21)24(33)29-17-8-6-16(26)7-9-17/h1-12H,(H2,27,31)(H,28,32)(H,29,33)
InChIKeyZJMSWPRYSFNZKC-UHFFFAOYSA-N
XLogP5.31
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.88
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide (CID 137430934) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide?
The InChIKey is ZJMSWPRYSFNZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN6O/c25-18-11-14(10-15-12-28-32-19(15)18)21-20(13-4-2-1-3-5-13)31-23(27)22(30-21)24(33)29-17-8-6-16(26)7-9-17/h1-12H,(H2,27,31)(H,28,32)(H,29,33).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide?
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide has a molecular weight of 458.88 g/mol, XLogP of 5.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 137430934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).