4-amino-N-(cyclopropylmethyl)-N-[(6-ethoxypyridazin-3-yl)methyl]-7-fluoro-3-methylpyrazolo[5,4-c]quinoline-8-carboxamide

C23H24FN7O2 — CID 163382867

IUPAC4-amino-N-(cyclopropylmethyl)-N-[(6-ethoxypyridazin-3-yl)methyl]-7-fluoro-3-methylpyrazolo[5,4-c]quinoline-8-carboxamide
SMILESCCOc1ccc(CN(CC2CC2)C(=O)c2cc3c(cc2F)nc(N)c2c3cnn2C)nn1
InChIInChI=1S/C23H24FN7O2/c1-3-33-20-7-6-14(28-29-20)12-31(11-13-4-5-13)23(32)16-8-15-17-10-26-30(2)21(17)22(25)27-19(15)9-18(16)24/h6-10,13H,3-5,11-12H2,1-2H3,(H2,25,27)
InChIKeyKULHOYAZKZMLKC-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.08
Rot. Bonds7

About 4-amino-N-(cyclopropylmethyl)-N-[(6-ethoxypyridazin-3-yl)methyl]-7-fluoro-3-methylpyrazolo[5,4-c]quinoline-8-carboxamide

4-amino-N-(cyclopropylmethyl)-N-[(6-ethoxypyridazin-3-yl)methyl]-7-fluoro-3-methylpyrazolo[5,4-c]quinoline-8-carboxamide (PubChem CID 163382867) has the molecular formula C23H24FN7O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is 4-amino-N-(cyclopropylmethyl)-N-[(6-ethoxypyridazin-3-yl)methyl]-7-fluoro-3-methylpyrazolo[5,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-(cyclopropylmethyl)-N-[(6-ethoxypyridazin-3-yl)methyl]-7-fluoro-3-methylpyrazolo[5,4-c]quinoline-8-carboxamide
PubChem CID163382867
Molecular FormulaC23H24FN7O2
Molecular Weight449.49 g/mol
Exact Mass449.20
IUPAC Name4-amino-N-(cyclopropylmethyl)-N-[(6-ethoxypyridazin-3-yl)methyl]-7-fluoro-3-methylpyrazolo[5,4-c]quinoline-8-carboxamide
SMILESCCOc1ccc(CN(CC2CC2)C(=O)c2cc3c(cc2F)nc(N)c2c3cnn2C)nn1
InChIInChI=1S/C23H24FN7O2/c1-3-33-20-7-6-14(28-29-20)12-31(11-13-4-5-13)23(32)16-8-15-17-10-26-30(2)21(17)22(25)27-19(15)9-18(16)24/h6-10,13H,3-5,11-12H2,1-2H3,(H2,25,27)
InChIKeyKULHOYAZKZMLKC-UHFFFAOYSA-N
XLogP3.08
TPSA112.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclopropylmethyl)-N-[(6-ethoxypyridazin-3-yl)methyl]-7-fluoro-3-methylpyrazolo[5,4-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N-(cyclopropylmethyl)-N-[(6-ethoxypyridazin-3-yl)methyl]-7-fluoro-3-methylpyrazolo[5,4-c]quinoline-8-carboxamide (CID 163382867) is 4-amino-N-(cyclopropylmethyl)-N-[(6-ethoxypyridazin-3-yl)methyl]-7-fluoro-3-methylpyrazolo[5,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-(cyclopropylmethyl)-N-[(6-ethoxypyridazin-3-yl)methyl]-7-fluoro-3-methylpyrazolo[5,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N-(cyclopropylmethyl)-N-[(6-ethoxypyridazin-3-yl)methyl]-7-fluoro-3-methylpyrazolo[5,4-c]quinoline-8-carboxamide is CCOc1ccc(CN(CC2CC2)C(=O)c2cc3c(cc2F)nc(N)c2c3cnn2C)nn1.
What is the InChIKey of 4-amino-N-(cyclopropylmethyl)-N-[(6-ethoxypyridazin-3-yl)methyl]-7-fluoro-3-methylpyrazolo[5,4-c]quinoline-8-carboxamide?
The InChIKey is KULHOYAZKZMLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O2/c1-3-33-20-7-6-14(28-29-20)12-31(11-13-4-5-13)23(32)16-8-15-17-10-26-30(2)21(17)22(25)27-19(15)9-18(16)24/h6-10,13H,3-5,11-12H2,1-2H3,(H2,25,27).
What are the key properties of 4-amino-N-(cyclopropylmethyl)-N-[(6-ethoxypyridazin-3-yl)methyl]-7-fluoro-3-methylpyrazolo[5,4-c]quinoline-8-carboxamide?
4-amino-N-(cyclopropylmethyl)-N-[(6-ethoxypyridazin-3-yl)methyl]-7-fluoro-3-methylpyrazolo[5,4-c]quinoline-8-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclopropylmethyl)-N-[(6-ethoxypyridazin-3-yl)methyl]-7-fluoro-3-methylpyrazolo[5,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 163382867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).