1-methyl-8-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C24H24F3N7O2 — CID 54585267

IUPAC1-methyl-8-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCN1CC=C(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)c2)CC1
InChIInChI=1S/C24H24F3N7O2/c1-33-9-7-13(8-10-33)14-4-6-18(36-24(25,26)27)17(11-14)30-23-29-12-15-3-5-16-20(22(28)35)32-34(2)21(16)19(15)31-23/h4,6-7,11-12H,3,5,8-10H2,1-2H3,(H2,28,35)(H,29,30,31)
InChIKeyDFKJNGVBNCASDM-UHFFFAOYSA-N
MW499.50 g/mol
LogP3.44
Rot. Bonds5

About 1-methyl-8-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

1-methyl-8-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 54585267) has the molecular formula C24H24F3N7O2 and a molecular weight of 499.50 g/mol. Its IUPAC name is 1-methyl-8-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name1-methyl-8-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID54585267
Molecular FormulaC24H24F3N7O2
Molecular Weight499.50 g/mol
Exact Mass499.19
IUPAC Name1-methyl-8-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCN1CC=C(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)c2)CC1
InChIInChI=1S/C24H24F3N7O2/c1-33-9-7-13(8-10-33)14-4-6-18(36-24(25,26)27)17(11-14)30-23-29-12-15-3-5-16-20(22(28)35)32-34(2)21(16)19(15)31-23/h4,6-7,11-12H,3,5,8-10H2,1-2H3,(H2,28,35)(H,29,30,31)
InChIKeyDFKJNGVBNCASDM-UHFFFAOYSA-N
XLogP3.44
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.50
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 1-methyl-8-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 54585267) is 1-methyl-8-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 1-methyl-8-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 1-methyl-8-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is CN1CC=C(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)c2)CC1.
What is the InChIKey of 1-methyl-8-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is DFKJNGVBNCASDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O2/c1-33-9-7-13(8-10-33)14-4-6-18(36-24(25,26)27)17(11-14)30-23-29-12-15-3-5-16-20(22(28)35)32-34(2)21(16)19(15)31-23/h4,6-7,11-12H,3,5,8-10H2,1-2H3,(H2,28,35)(H,29,30,31).
What are the key properties of 1-methyl-8-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
1-methyl-8-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 499.50 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 54585267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).