N-[[4-[[1-[(3-fluoro-2-pyridinyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide

C23H24F4N6O — CID 146676866

IUPACN-[[4-[[1-[(3-fluoro-2-pyridinyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide
SMILESCc1cn(Cc2ncccc2F)nc1Cc1ccc(CNC(=O)C2CNNC2C(F)(F)F)cc1
InChIInChI=1S/C23H24F4N6O/c1-14-12-33(13-20-18(24)3-2-8-28-20)32-19(14)9-15-4-6-16(7-5-15)10-29-22(34)17-11-30-31-21(17)23(25,26)27/h2-8,12,17,21,30-31H,9-11,13H2,1H3,(H,29,34)
InChIKeyXQADDDOEXUHUAX-UHFFFAOYSA-N
MW476.48 g/mol
LogP2.64
Rot. Bonds7

About N-[[4-[[1-[(3-fluoro-2-pyridinyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide

N-[[4-[[1-[(3-fluoro-2-pyridinyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide (PubChem CID 146676866) has the molecular formula C23H24F4N6O and a molecular weight of 476.48 g/mol. Its IUPAC name is N-[[4-[[1-[(3-fluoro-2-pyridinyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[[1-[(3-fluoro-2-pyridinyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide
PubChem CID146676866
Molecular FormulaC23H24F4N6O
Molecular Weight476.48 g/mol
Exact Mass476.19
IUPAC NameN-[[4-[[1-[(3-fluoro-2-pyridinyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide
SMILESCc1cn(Cc2ncccc2F)nc1Cc1ccc(CNC(=O)C2CNNC2C(F)(F)F)cc1
InChIInChI=1S/C23H24F4N6O/c1-14-12-33(13-20-18(24)3-2-8-28-20)32-19(14)9-15-4-6-16(7-5-15)10-29-22(34)17-11-30-31-21(17)23(25,26)27/h2-8,12,17,21,30-31H,9-11,13H2,1H3,(H,29,34)
InChIKeyXQADDDOEXUHUAX-UHFFFAOYSA-N
XLogP2.64
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.48
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[1-[(3-fluoro-2-pyridinyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide?
The IUPAC name of N-[[4-[[1-[(3-fluoro-2-pyridinyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide (CID 146676866) is N-[[4-[[1-[(3-fluoro-2-pyridinyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide.
What is the SMILES notation for N-[[4-[[1-[(3-fluoro-2-pyridinyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide?
The canonical SMILES for N-[[4-[[1-[(3-fluoro-2-pyridinyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide is Cc1cn(Cc2ncccc2F)nc1Cc1ccc(CNC(=O)C2CNNC2C(F)(F)F)cc1.
What is the InChIKey of N-[[4-[[1-[(3-fluoro-2-pyridinyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide?
The InChIKey is XQADDDOEXUHUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N6O/c1-14-12-33(13-20-18(24)3-2-8-28-20)32-19(14)9-15-4-6-16(7-5-15)10-29-22(34)17-11-30-31-21(17)23(25,26)27/h2-8,12,17,21,30-31H,9-11,13H2,1H3,(H,29,34).
What are the key properties of N-[[4-[[1-[(3-fluoro-2-pyridinyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide?
N-[[4-[[1-[(3-fluoro-2-pyridinyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide has a molecular weight of 476.48 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[1-[(3-fluoro-2-pyridinyl)methyl]-4-methylpyrazol-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 146676866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).