4-amino-N'-(cyclopropanecarbonyl)-N-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide

C24H22F3N7O4 — CID 171822844

IUPAC4-amino-N'-(cyclopropanecarbonyl)-N-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
SMILESCN(C(=O)C1CC1)N(C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1)C(O)(O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C24H22F3N7O4/c1-32-19-15-9-13(5-7-17(15)31-20(28)16(19)11-30-32)22(36)34(33(2)21(35)12-3-4-12)24(37,38)18-8-6-14(10-29-18)23(25,26)27/h5-12,37-38H,3-4H2,1-2H3,(H2,28,31)
InChIKeySWFDZJUHZAKIOX-UHFFFAOYSA-N
MW529.48 g/mol
LogP2.14
Rot. Bonds4

About 4-amino-N'-(cyclopropanecarbonyl)-N-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide

4-amino-N'-(cyclopropanecarbonyl)-N-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide (PubChem CID 171822844) has the molecular formula C24H22F3N7O4 and a molecular weight of 529.48 g/mol. Its IUPAC name is 4-amino-N'-(cyclopropanecarbonyl)-N-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide.

Molecular Properties

Compound Name4-amino-N'-(cyclopropanecarbonyl)-N-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
PubChem CID171822844
Molecular FormulaC24H22F3N7O4
Molecular Weight529.48 g/mol
Exact Mass529.17
IUPAC Name4-amino-N'-(cyclopropanecarbonyl)-N-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
SMILESCN(C(=O)C1CC1)N(C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1)C(O)(O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C24H22F3N7O4/c1-32-19-15-9-13(5-7-17(15)31-20(28)16(19)11-30-32)22(36)34(33(2)21(35)12-3-4-12)24(37,38)18-8-6-14(10-29-18)23(25,26)27/h5-12,37-38H,3-4H2,1-2H3,(H2,28,31)
InChIKeySWFDZJUHZAKIOX-UHFFFAOYSA-N
XLogP2.14
TPSA150.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.48
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-(cyclopropanecarbonyl)-N-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide?
The IUPAC name of 4-amino-N'-(cyclopropanecarbonyl)-N-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide (CID 171822844) is 4-amino-N'-(cyclopropanecarbonyl)-N-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide.
What is the SMILES notation for 4-amino-N'-(cyclopropanecarbonyl)-N-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide?
The canonical SMILES for 4-amino-N'-(cyclopropanecarbonyl)-N-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide is CN(C(=O)C1CC1)N(C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1)C(O)(O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 4-amino-N'-(cyclopropanecarbonyl)-N-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide?
The InChIKey is SWFDZJUHZAKIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7O4/c1-32-19-15-9-13(5-7-17(15)31-20(28)16(19)11-30-32)22(36)34(33(2)21(35)12-3-4-12)24(37,38)18-8-6-14(10-29-18)23(25,26)27/h5-12,37-38H,3-4H2,1-2H3,(H2,28,31).
What are the key properties of 4-amino-N'-(cyclopropanecarbonyl)-N-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide?
4-amino-N'-(cyclopropanecarbonyl)-N-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide has a molecular weight of 529.48 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-(cyclopropanecarbonyl)-N-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide is sourced from PubChem (CID 171822844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).