5-oxo-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6H-pyrazolo[1,5-c]quinazoline-9-carboxamide

C21H18F3N5O2 — CID 163383611

IUPAC5-oxo-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6H-pyrazolo[1,5-c]quinazoline-9-carboxamide
SMILESCC(C)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2[nH]c(=O)n3nccc3c2c1
InChIInChI=1S/C21H18F3N5O2/c1-12(2)28(11-15-5-4-14(10-25-15)21(22,23)24)19(30)13-3-6-17-16(9-13)18-7-8-26-29(18)20(31)27-17/h3-10,12H,11H2,1-2H3,(H,27,31)
InChIKeyNPCDYYBGJLFQDI-UHFFFAOYSA-N
MW429.40 g/mol
LogP3.64
Rot. Bonds4

About 5-oxo-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6H-pyrazolo[1,5-c]quinazoline-9-carboxamide

5-oxo-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6H-pyrazolo[1,5-c]quinazoline-9-carboxamide (PubChem CID 163383611) has the molecular formula C21H18F3N5O2 and a molecular weight of 429.40 g/mol. Its IUPAC name is 5-oxo-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6H-pyrazolo[1,5-c]quinazoline-9-carboxamide.

Molecular Properties

Compound Name5-oxo-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6H-pyrazolo[1,5-c]quinazoline-9-carboxamide
PubChem CID163383611
Molecular FormulaC21H18F3N5O2
Molecular Weight429.40 g/mol
Exact Mass429.14
IUPAC Name5-oxo-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6H-pyrazolo[1,5-c]quinazoline-9-carboxamide
SMILESCC(C)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2[nH]c(=O)n3nccc3c2c1
InChIInChI=1S/C21H18F3N5O2/c1-12(2)28(11-15-5-4-14(10-25-15)21(22,23)24)19(30)13-3-6-17-16(9-13)18-7-8-26-29(18)20(31)27-17/h3-10,12H,11H2,1-2H3,(H,27,31)
InChIKeyNPCDYYBGJLFQDI-UHFFFAOYSA-N
XLogP3.64
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6H-pyrazolo[1,5-c]quinazoline-9-carboxamide?
The IUPAC name of 5-oxo-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6H-pyrazolo[1,5-c]quinazoline-9-carboxamide (CID 163383611) is 5-oxo-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6H-pyrazolo[1,5-c]quinazoline-9-carboxamide.
What is the SMILES notation for 5-oxo-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6H-pyrazolo[1,5-c]quinazoline-9-carboxamide?
The canonical SMILES for 5-oxo-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6H-pyrazolo[1,5-c]quinazoline-9-carboxamide is CC(C)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2[nH]c(=O)n3nccc3c2c1.
What is the InChIKey of 5-oxo-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6H-pyrazolo[1,5-c]quinazoline-9-carboxamide?
The InChIKey is NPCDYYBGJLFQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O2/c1-12(2)28(11-15-5-4-14(10-25-15)21(22,23)24)19(30)13-3-6-17-16(9-13)18-7-8-26-29(18)20(31)27-17/h3-10,12H,11H2,1-2H3,(H,27,31).
What are the key properties of 5-oxo-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6H-pyrazolo[1,5-c]quinazoline-9-carboxamide?
5-oxo-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6H-pyrazolo[1,5-c]quinazoline-9-carboxamide has a molecular weight of 429.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6H-pyrazolo[1,5-c]quinazoline-9-carboxamide is sourced from PubChem (CID 163383611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).