N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[5-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide

C27H28F3N5O2 — CID 155542049

IUPACN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[5-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(C(F)(F)F)cn2)cc2c1cnn2C(C)C
InChIInChI=1S/C27H28F3N5O2/c1-5-6-17-9-16(4)34-26(37)21(17)13-32-25(36)20-10-18(11-24-22(20)14-33-35(24)15(2)3)23-8-7-19(12-31-23)27(28,29)30/h7-12,14-15H,5-6,13H2,1-4H3,(H,32,36)(H,34,37)
InChIKeyIJJZCKKWMJHZHV-UHFFFAOYSA-N
MW511.55 g/mol
LogP5.58
Rot. Bonds7

About N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[5-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide

N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[5-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide (PubChem CID 155542049) has the molecular formula C27H28F3N5O2 and a molecular weight of 511.55 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[5-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[5-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide
PubChem CID155542049
Molecular FormulaC27H28F3N5O2
Molecular Weight511.55 g/mol
Exact Mass511.22
IUPAC NameN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[5-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(C(F)(F)F)cn2)cc2c1cnn2C(C)C
InChIInChI=1S/C27H28F3N5O2/c1-5-6-17-9-16(4)34-26(37)21(17)13-32-25(36)20-10-18(11-24-22(20)14-33-35(24)15(2)3)23-8-7-19(12-31-23)27(28,29)30/h7-12,14-15H,5-6,13H2,1-4H3,(H,32,36)(H,34,37)
InChIKeyIJJZCKKWMJHZHV-UHFFFAOYSA-N
XLogP5.58
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.55
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[5-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
The IUPAC name of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[5-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide (CID 155542049) is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[5-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide.
What is the SMILES notation for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[5-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
The canonical SMILES for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[5-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(C(F)(F)F)cn2)cc2c1cnn2C(C)C.
What is the InChIKey of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[5-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
The InChIKey is IJJZCKKWMJHZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N5O2/c1-5-6-17-9-16(4)34-26(37)21(17)13-32-25(36)20-10-18(11-24-22(20)14-33-35(24)15(2)3)23-8-7-19(12-31-23)27(28,29)30/h7-12,14-15H,5-6,13H2,1-4H3,(H,32,36)(H,34,37).
What are the key properties of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[5-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[5-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide has a molecular weight of 511.55 g/mol, XLogP of 5.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[5-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide is sourced from PubChem (CID 155542049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).