4-amino-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide

C22H18F3N9O — CID 163383657

IUPAC4-amino-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide
SMILESCn1cc(N(Cc2ccc(C(F)(F)F)cn2)C(=O)c2cc3c(cn2)nc(N)c2cnn(C)c23)cn1
InChIInChI=1S/C22H18F3N9O/c1-32-11-14(7-29-32)34(10-13-4-3-12(6-27-13)22(23,24)25)21(35)17-5-15-18(9-28-17)31-20(26)16-8-30-33(2)19(15)16/h3-9,11H,10H2,1-2H3,(H2,26,31)
InChIKeyZRBUIKCEUZUQEB-UHFFFAOYSA-N
MW481.44 g/mol
LogP3.09
Rot. Bonds4

About 4-amino-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide

4-amino-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide (PubChem CID 163383657) has the molecular formula C22H18F3N9O and a molecular weight of 481.44 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide
PubChem CID163383657
Molecular FormulaC22H18F3N9O
Molecular Weight481.44 g/mol
Exact Mass481.16
IUPAC Name4-amino-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide
SMILESCn1cc(N(Cc2ccc(C(F)(F)F)cn2)C(=O)c2cc3c(cn2)nc(N)c2cnn(C)c23)cn1
InChIInChI=1S/C22H18F3N9O/c1-32-11-14(7-29-32)34(10-13-4-3-12(6-27-13)22(23,24)25)21(35)17-5-15-18(9-28-17)31-20(26)16-8-30-33(2)19(15)16/h3-9,11H,10H2,1-2H3,(H2,26,31)
InChIKeyZRBUIKCEUZUQEB-UHFFFAOYSA-N
XLogP3.09
TPSA120.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(3R)-4-amino-3-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 163382890
4-amino-N-cyclopropyl-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 163382618
4-amino-N'-(2-cyclopropyl-2,2-difluoroacetyl)-N',1-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171822862
4-amino-7-fluoro-1-methyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 163382992
4-amino-1-methyl-N-thiomorpholin-4-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 174376750
4-amino-N-ethyl-1,3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide
CID 163383417
4-amino-7-fluoro-1-methyl-N-(1,2,2-trifluoroethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 175487814
4-amino-N'-(cyclopropylmethyl)-N',1-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171822885
4-amino-N'-(cyclopropanecarbonyl)-N'-ethyl-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823559
4-amino-N',1-dimethyl-N'-(pyrimidine-2-carbonyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171822952
4-amino-N-[(5-ethynyl-2-pyridinyl)methyl]-7-fluoro-3-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[5,4-c]quinoline-8-carboxamide
CID 170694740
4-amino-1-methyl-N-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 171823050

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide (CID 163383657) is 4-amino-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide is Cn1cc(N(Cc2ccc(C(F)(F)F)cn2)C(=O)c2cc3c(cn2)nc(N)c2cnn(C)c23)cn1.
What is the InChIKey of 4-amino-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide?
The InChIKey is ZRBUIKCEUZUQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N9O/c1-32-11-14(7-29-32)34(10-13-4-3-12(6-27-13)22(23,24)25)21(35)17-5-15-18(9-28-17)31-20(26)16-8-30-33(2)19(15)16/h3-9,11H,10H2,1-2H3,(H2,26,31).
What are the key properties of 4-amino-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide?
4-amino-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide has a molecular weight of 481.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide is sourced from PubChem (CID 163383657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).