N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-4-fluorobenzamide

C24H16ClFN6O — CID 137430434

IUPACN-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-4-fluorobenzamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C24H16ClFN6O/c25-18-11-15(10-16-12-28-32-19(16)18)21-20(13-4-2-1-3-5-13)29-22(27)23(30-21)31-24(33)14-6-8-17(26)9-7-14/h1-12H,(H2,27,29)(H,28,32)(H,30,31,33)
InChIKeyXYLJNJOZBROZJQ-UHFFFAOYSA-N
MW458.88 g/mol
LogP5.31
Rot. Bonds4

About N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-4-fluorobenzamide

N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-4-fluorobenzamide (PubChem CID 137430434) has the molecular formula C24H16ClFN6O and a molecular weight of 458.88 g/mol. Its IUPAC name is N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-4-fluorobenzamide
PubChem CID137430434
Molecular FormulaC24H16ClFN6O
Molecular Weight458.88 g/mol
Exact Mass458.11
IUPAC NameN-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-4-fluorobenzamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C24H16ClFN6O/c25-18-11-15(10-16-12-28-32-19(16)18)21-20(13-4-2-1-3-5-13)29-22(27)23(30-21)31-24(33)14-6-8-17(26)9-7-14/h1-12H,(H2,27,29)(H,28,32)(H,30,31,33)
InChIKeyXYLJNJOZBROZJQ-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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Related Compounds

N-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-3-chlorobenzamide
CID 49830474
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
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3-(4-fluorophenyl)-N-pyridin-2-yl-1H-indazole-5-carboxamide
CID 20789053
US20240228491, Example 72
CID 172056598
US20240228491, Example 73
CID 172056599
(3-Chloro-4-fluorophenyl)(4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl)methanone
CID 91631807
N-[6-fluoro-2-(1H-indazol-6-ylamino)-3-pyridinyl]-4-propan-2-ylbenzamide
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N-[6-fluoro-2-(1H-indazol-6-ylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 21959472
N-[2-(1H-indazol-6-ylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 21959630
(4-chlorophenyl)-[4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]piperazin-1-yl]methanone
CID 22032554
5-(2-chloro-4,6-difluoroanilino)-9-(1H-pyrazol-5-yl)-2H-benzo[h][2,6]naphthyridin-1-one
CID 25226758
3-(4-Chloro-2-fluorophenyl)-1,9-dimethyl-6-(2H-pyrazol-3-yl)-1,9-dihydro-pyrido[2,3-b]indol-2-one
CID 66997986

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-4-fluorobenzamide (CID 137430434) is N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-4-fluorobenzamide is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-4-fluorobenzamide?
The InChIKey is XYLJNJOZBROZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN6O/c25-18-11-15(10-16-12-28-32-19(16)18)21-20(13-4-2-1-3-5-13)29-22(27)23(30-21)31-24(33)14-6-8-17(26)9-7-14/h1-12H,(H2,27,29)(H,28,32)(H,30,31,33).
What are the key properties of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-4-fluorobenzamide?
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-4-fluorobenzamide 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 N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 137430434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).