2-[[[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide

C19H19F3N6O2 — CID 123541168

IUPAC2-[[[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide
SMILESCOc1nn(C)cc1Nc1cc(NCc2ccccc2C(N)=O)c(C(F)(F)F)cn1
InChIInChI=1S/C19H19F3N6O2/c1-28-10-15(18(27-28)30-2)26-16-7-14(13(9-25-16)19(20,21)22)24-8-11-5-3-4-6-12(11)17(23)29/h3-7,9-10H,8H2,1-2H3,(H2,23,29)(H2,24,25,26)
InChIKeyGWOLTLLUDYYNCX-UHFFFAOYSA-N
MW420.40 g/mol
LogP3.30
Rot. Bonds7

About 2-[[[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide

2-[[[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide (PubChem CID 123541168) has the molecular formula C19H19F3N6O2 and a molecular weight of 420.40 g/mol. Its IUPAC name is 2-[[[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide.

Molecular Properties

Compound Name2-[[[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide
PubChem CID123541168
Molecular FormulaC19H19F3N6O2
Molecular Weight420.40 g/mol
Exact Mass420.15
IUPAC Name2-[[[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide
SMILESCOc1nn(C)cc1Nc1cc(NCc2ccccc2C(N)=O)c(C(F)(F)F)cn1
InChIInChI=1S/C19H19F3N6O2/c1-28-10-15(18(27-28)30-2)26-16-7-14(13(9-25-16)19(20,21)22)24-8-11-5-3-4-6-12(11)17(23)29/h3-7,9-10H,8H2,1-2H3,(H2,23,29)(H2,24,25,26)
InChIKeyGWOLTLLUDYYNCX-UHFFFAOYSA-N
XLogP3.30
TPSA107.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide?
The IUPAC name of 2-[[[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide (CID 123541168) is 2-[[[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide.
What is the SMILES notation for 2-[[[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide?
The canonical SMILES for 2-[[[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide is COc1nn(C)cc1Nc1cc(NCc2ccccc2C(N)=O)c(C(F)(F)F)cn1.
What is the InChIKey of 2-[[[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide?
The InChIKey is GWOLTLLUDYYNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O2/c1-28-10-15(18(27-28)30-2)26-16-7-14(13(9-25-16)19(20,21)22)24-8-11-5-3-4-6-12(11)17(23)29/h3-7,9-10H,8H2,1-2H3,(H2,23,29)(H2,24,25,26).
What are the key properties of 2-[[[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide?
2-[[[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide has a molecular weight of 420.40 g/mol, XLogP of 3.30, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide is sourced from PubChem (CID 123541168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).