2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-phenylpropanamide

C27H24N6OS — CID 156760476

IUPAC2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESCc1nc(NC(=O)C(N)Cc2ccccc2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C27H24N6OS/c1-17-25(35-27(30-17)31-26(34)22(28)15-18-7-3-2-4-8-18)19-10-12-21-23(32-33-24(21)16-19)13-11-20-9-5-6-14-29-20/h2-14,16,22H,15,28H2,1H3,(H,32,33)(H,30,31,34)/b13-11+
InChIKeyYWKTZVYRLGRHDX-ACCUITESSA-N
MW480.60 g/mol
LogP5.07
Rot. Bonds7

About 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-phenylpropanamide

2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-phenylpropanamide (PubChem CID 156760476) has the molecular formula C27H24N6OS and a molecular weight of 480.60 g/mol. Its IUPAC name is 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-phenylpropanamide
PubChem CID156760476
Molecular FormulaC27H24N6OS
Molecular Weight480.60 g/mol
Exact Mass480.17
IUPAC Name2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESCc1nc(NC(=O)C(N)Cc2ccccc2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C27H24N6OS/c1-17-25(35-27(30-17)31-26(34)22(28)15-18-7-3-2-4-8-18)19-10-12-21-23(32-33-24(21)16-19)13-11-20-9-5-6-14-29-20/h2-14,16,22H,15,28H2,1H3,(H,32,33)(H,30,31,34)/b13-11+
InChIKeyYWKTZVYRLGRHDX-ACCUITESSA-N
XLogP5.07
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.60
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-phenylpropanamide (CID 156760476) is 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-phenylpropanamide is Cc1nc(NC(=O)C(N)Cc2ccccc2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.
What is the InChIKey of 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-phenylpropanamide?
The InChIKey is YWKTZVYRLGRHDX-ACCUITESSA-N. The full InChI is InChI=1S/C27H24N6OS/c1-17-25(35-27(30-17)31-26(34)22(28)15-18-7-3-2-4-8-18)19-10-12-21-23(32-33-24(21)16-19)13-11-20-9-5-6-14-29-20/h2-14,16,22H,15,28H2,1H3,(H,32,33)(H,30,31,34)/b13-11+.
What are the key properties of 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-phenylpropanamide?
2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-phenylpropanamide has a molecular weight of 480.60 g/mol, XLogP of 5.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 156760476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).