7-amino-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;2-methylcyclohexan-1-amine

C23H27F2N7O — CID 144573075

IUPAC7-amino-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;2-methylcyclohexan-1-amine
SMILESCC1CCCCC1N.Cc1c[nH]c2c(Nc3nc(N)c(F)c4cn[nH]c(=O)c34)cc(F)cc12
InChIInChI=1S/C16H12F2N6O.C7H15N/c1-6-4-20-13-8(6)2-7(17)3-10(13)22-15-11-9(5-21-24-16(11)25)12(18)14(19)23-15;1-6-4-2-3-5-7(6)8/h2-5,20H,1H3,(H,24,25)(H3,19,22,23);6-7H,2-5,8H2,1H3
InChIKeyGZADSDSRGYKMMD-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.24
Rot. Bonds2

About 7-amino-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;2-methylcyclohexan-1-amine

7-amino-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;2-methylcyclohexan-1-amine (PubChem CID 144573075) has the molecular formula C23H27F2N7O and a molecular weight of 455.51 g/mol. Its IUPAC name is 7-amino-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name7-amino-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;2-methylcyclohexan-1-amine
PubChem CID144573075
Molecular FormulaC23H27F2N7O
Molecular Weight455.51 g/mol
Exact Mass455.22
IUPAC Name7-amino-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;2-methylcyclohexan-1-amine
SMILESCC1CCCCC1N.Cc1c[nH]c2c(Nc3nc(N)c(F)c4cn[nH]c(=O)c34)cc(F)cc12
InChIInChI=1S/C16H12F2N6O.C7H15N/c1-6-4-20-13-8(6)2-7(17)3-10(13)22-15-11-9(5-21-24-16(11)25)12(18)14(19)23-15;1-6-4-2-3-5-7(6)8/h2-5,20H,1H3,(H,24,25)(H3,19,22,23);6-7H,2-5,8H2,1H3
InChIKeyGZADSDSRGYKMMD-UHFFFAOYSA-N
XLogP4.24
TPSA138.50 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 7-amino-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;2-methylcyclohexan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-amino-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;2-methylcyclohexan-1-amine?
The IUPAC name of 7-amino-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;2-methylcyclohexan-1-amine (CID 144573075) is 7-amino-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;2-methylcyclohexan-1-amine.
What is the SMILES notation for 7-amino-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;2-methylcyclohexan-1-amine?
The canonical SMILES for 7-amino-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;2-methylcyclohexan-1-amine is CC1CCCCC1N.Cc1c[nH]c2c(Nc3nc(N)c(F)c4cn[nH]c(=O)c34)cc(F)cc12.
What is the InChIKey of 7-amino-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;2-methylcyclohexan-1-amine?
The InChIKey is GZADSDSRGYKMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N6O.C7H15N/c1-6-4-20-13-8(6)2-7(17)3-10(13)22-15-11-9(5-21-24-16(11)25)12(18)14(19)23-15;1-6-4-2-3-5-7(6)8/h2-5,20H,1H3,(H,24,25)(H3,19,22,23);6-7H,2-5,8H2,1H3.
What are the key properties of 7-amino-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;2-methylcyclohexan-1-amine?
7-amino-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;2-methylcyclohexan-1-amine has a molecular weight of 455.51 g/mol, XLogP of 4.24, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;2-methylcyclohexan-1-amine is sourced from PubChem (CID 144573075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).