4-amino-N-[(5-ethynyl-2-pyridinyl)methyl]-7-fluoro-3-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[5,4-c]quinoline-8-carboxamide

C24H19FN8O — CID 170694740

IUPAC4-amino-N-[(5-ethynyl-2-pyridinyl)methyl]-7-fluoro-3-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[5,4-c]quinoline-8-carboxamide
SMILESC#Cc1ccc(CN(C(=O)c2cc3c(cc2F)nc(N)c2c3cnn2C)c2cnn(C)c2)nc1
InChIInChI=1S/C24H19FN8O/c1-4-14-5-6-15(27-9-14)12-33(16-10-28-31(2)13-16)24(34)18-7-17-19-11-29-32(3)22(19)23(26)30-21(17)8-20(18)25/h1,5-11,13H,12H2,2-3H3,(H2,26,30)
InChIKeyHZNIFYRVSCYEOK-UHFFFAOYSA-N
MW454.47 g/mol
LogP2.80
Rot. Bonds4

About 4-amino-N-[(5-ethynyl-2-pyridinyl)methyl]-7-fluoro-3-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[5,4-c]quinoline-8-carboxamide

4-amino-N-[(5-ethynyl-2-pyridinyl)methyl]-7-fluoro-3-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[5,4-c]quinoline-8-carboxamide (PubChem CID 170694740) has the molecular formula C24H19FN8O and a molecular weight of 454.47 g/mol. Its IUPAC name is 4-amino-N-[(5-ethynyl-2-pyridinyl)methyl]-7-fluoro-3-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[5,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-ethynyl-2-pyridinyl)methyl]-7-fluoro-3-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[5,4-c]quinoline-8-carboxamide
PubChem CID170694740
Molecular FormulaC24H19FN8O
Molecular Weight454.47 g/mol
Exact Mass454.17
IUPAC Name4-amino-N-[(5-ethynyl-2-pyridinyl)methyl]-7-fluoro-3-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[5,4-c]quinoline-8-carboxamide
SMILESC#Cc1ccc(CN(C(=O)c2cc3c(cc2F)nc(N)c2c3cnn2C)c2cnn(C)c2)nc1
InChIInChI=1S/C24H19FN8O/c1-4-14-5-6-15(27-9-14)12-33(16-10-28-31(2)13-16)24(34)18-7-17-19-11-29-32(3)22(19)23(26)30-21(17)8-20(18)25/h1,5-11,13H,12H2,2-3H3,(H2,26,30)
InChIKeyHZNIFYRVSCYEOK-UHFFFAOYSA-N
XLogP2.80
TPSA107.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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
4-amino-7-fluoro-N,1-dimethyl-N-[[5-(3-methyl-3-trimethylsilyloxybut-1-ynyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 170694853
4-amino-N-cyclopropyl-7-fluoro-1-methyl-N-[[5-(2-thiophen-3-ylethynyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 172555289
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-N-cyclopropyl-7-fluoro-1-methyl-N-[[4-[2-(1-methylpyrazol-4-yl)ethynyl]phenyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 172555312
4-amino-N-[(5-cyclopropyl-2-pyridinyl)methyl]-N-ethyl-7-fluoro-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 163383207
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-cyclopropyl-7-fluoro-3-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazolo[5,4-c]quinoline-8-carboxamide
CID 174220847
4-amino-N-[(3S)-6-bromo-2,3-dihydro-1-benzothiophen-3-yl]-7-fluoro-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide
CID 170429813
4-amino-N-(6-bromo-2,3-dihydro-1-benzothiophen-3-yl)-7-fluoro-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide
CID 164866882
4-amino-7-chloro-N-cyclopropyl-1-methyl-N-[[5-[2-[6-(trifluoromethyl)-3-pyridinyl]ethynyl]-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 172555284
4-amino-7-fluoro-N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 163382757

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-ethynyl-2-pyridinyl)methyl]-7-fluoro-3-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[5,4-c]quinoline-8-carboxamide?
The IUPAC name of 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) is 4-amino-N-[(5-ethynyl-2-pyridinyl)methyl]-7-fluoro-3-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[5,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-ethynyl-2-pyridinyl)methyl]-7-fluoro-3-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[5,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N-[(5-ethynyl-2-pyridinyl)methyl]-7-fluoro-3-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[5,4-c]quinoline-8-carboxamide is C#Cc1ccc(CN(C(=O)c2cc3c(cc2F)nc(N)c2c3cnn2C)c2cnn(C)c2)nc1.
What is the InChIKey of 4-amino-N-[(5-ethynyl-2-pyridinyl)methyl]-7-fluoro-3-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[5,4-c]quinoline-8-carboxamide?
The InChIKey is HZNIFYRVSCYEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN8O/c1-4-14-5-6-15(27-9-14)12-33(16-10-28-31(2)13-16)24(34)18-7-17-19-11-29-32(3)22(19)23(26)30-21(17)8-20(18)25/h1,5-11,13H,12H2,2-3H3,(H2,26,30).
What are the key properties of 4-amino-N-[(5-ethynyl-2-pyridinyl)methyl]-7-fluoro-3-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[5,4-c]quinoline-8-carboxamide?
4-amino-N-[(5-ethynyl-2-pyridinyl)methyl]-7-fluoro-3-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[5,4-c]quinoline-8-carboxamide has a molecular weight of 454.47 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-ethynyl-2-pyridinyl)methyl]-7-fluoro-3-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[5,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 170694740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).