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

C25H19ClFN7O — CID 154996395

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccc(F)cc2)nc1N)c1ccccn1
InChIInChI=1S/C25H19ClFN7O/c1-13(19-4-2-3-9-29-19)31-25(35)23-24(28)33-21(14-5-7-17(27)8-6-14)22(32-23)15-10-16-12-30-34-20(16)18(26)11-15/h2-13H,1H3,(H2,28,33)(H,30,34)(H,31,35)
InChIKeyOWTNAAALMOQJID-UHFFFAOYSA-N
MW487.93 g/mol
LogP4.95
Rot. Bonds5

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

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide (PubChem CID 154996395) has the molecular formula C25H19ClFN7O and a molecular weight of 487.93 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
PubChem CID154996395
Molecular FormulaC25H19ClFN7O
Molecular Weight487.93 g/mol
Exact Mass487.13
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccc(F)cc2)nc1N)c1ccccn1
InChIInChI=1S/C25H19ClFN7O/c1-13(19-4-2-3-9-29-19)31-25(35)23-24(28)33-21(14-5-7-17(27)8-6-14)22(32-23)15-10-16-12-30-34-20(16)18(26)11-15/h2-13H,1H3,(H2,28,33)(H,30,34)(H,31,35)
InChIKeyOWTNAAALMOQJID-UHFFFAOYSA-N
XLogP4.95
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.93
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-chloro-4-fluorophenyl)methyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71554729
1-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71554733
1-[(3-chloro-4-fluorophenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555766
1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555840
US20240018122, Example 155
CID 168072478
3-amino-6-(1H-indazol-6-yl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide
CID 70681238
3-amino-6-(1H-indazol-7-yl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide
CID 70685429
N-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]acetamide
CID 155551979
N-((6-Amino-4-chloro-2-methylpyridin-3-yl)methyl)-1-((2-methylquinolin-6-yl)methyl)-1H-1,2,3-triazole-4-carboxamide
CID 56836060
US9884048, Example 219
CID 121416564
2-[3-acetyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide
CID 130299722
US10301284, Example 115
CID 134178693

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide (CID 154996395) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide is CC(NC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccc(F)cc2)nc1N)c1ccccn1.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The InChIKey is OWTNAAALMOQJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN7O/c1-13(19-4-2-3-9-29-19)31-25(35)23-24(28)33-21(14-5-7-17(27)8-6-14)22(32-23)15-10-16-12-30-34-20(16)18(26)11-15/h2-13H,1H3,(H2,28,33)(H,30,34)(H,31,35).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide has a molecular weight of 487.93 g/mol, XLogP of 4.95, 5 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)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 154996395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).