N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-N-propan-2-yl-2-(triazol-2-yl)benzamide

C23H24FN7O — CID 57389968

IUPACN-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-N-propan-2-yl-2-(triazol-2-yl)benzamide
SMILESCc1ccc(-n2nccn2)c(C(=O)N(CCn2ccc(-c3ccc(F)cn3)n2)C(C)C)c1
InChIInChI=1S/C23H24FN7O/c1-16(2)30(13-12-29-11-8-21(28-29)20-6-5-18(24)15-25-20)23(32)19-14-17(3)4-7-22(19)31-26-9-10-27-31/h4-11,14-16H,12-13H2,1-3H3
InChIKeyUUFUKEMZRAXXIP-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.52
Rot. Bonds7

About N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-N-propan-2-yl-2-(triazol-2-yl)benzamide

N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-N-propan-2-yl-2-(triazol-2-yl)benzamide (PubChem CID 57389968) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-N-propan-2-yl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-N-propan-2-yl-2-(triazol-2-yl)benzamide
PubChem CID57389968
Molecular FormulaC23H24FN7O
Molecular Weight433.49 g/mol
Exact Mass433.20
IUPAC NameN-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-N-propan-2-yl-2-(triazol-2-yl)benzamide
SMILESCc1ccc(-n2nccn2)c(C(=O)N(CCn2ccc(-c3ccc(F)cn3)n2)C(C)C)c1
InChIInChI=1S/C23H24FN7O/c1-16(2)30(13-12-29-11-8-21(28-29)20-6-5-18(24)15-25-20)23(32)19-14-17(3)4-7-22(19)31-26-9-10-27-31/h4-11,14-16H,12-13H2,1-3H3
InChIKeyUUFUKEMZRAXXIP-UHFFFAOYSA-N
XLogP3.52
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-N-propan-2-yl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-N-propan-2-yl-2-(triazol-2-yl)benzamide (CID 57389968) is N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-N-propan-2-yl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-N-propan-2-yl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-N-propan-2-yl-2-(triazol-2-yl)benzamide is Cc1ccc(-n2nccn2)c(C(=O)N(CCn2ccc(-c3ccc(F)cn3)n2)C(C)C)c1.
What is the InChIKey of N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-N-propan-2-yl-2-(triazol-2-yl)benzamide?
The InChIKey is UUFUKEMZRAXXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O/c1-16(2)30(13-12-29-11-8-21(28-29)20-6-5-18(24)15-25-20)23(32)19-14-17(3)4-7-22(19)31-26-9-10-27-31/h4-11,14-16H,12-13H2,1-3H3.
What are the key properties of N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-N-propan-2-yl-2-(triazol-2-yl)benzamide?
N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-N-propan-2-yl-2-(triazol-2-yl)benzamide has a molecular weight of 433.49 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-N-propan-2-yl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 57389968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).