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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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).