1-(4-chloro-2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine

C18H16ClFN4O — CID 165091561

IUPAC1-(4-chloro-2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine
SMILESFc1cc(Cl)ccc1-c1nnc(NC[C@H]2CCCO2)c2cnccc12
InChIInChI=1S/C18H16ClFN4O/c19-11-3-4-14(16(20)8-11)17-13-5-6-21-10-15(13)18(24-23-17)22-9-12-2-1-7-25-12/h3-6,8,10,12H,1-2,7,9H2,(H,22,24)/t12-/m1/s1
InChIKeyWUIITUDYQLAKFC-GFCCVEGCSA-N
MW358.80 g/mol
LogP4.08
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine

1-(4-chloro-2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine (PubChem CID 165091561) has the molecular formula C18H16ClFN4O and a molecular weight of 358.80 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine
PubChem CID165091561
Molecular FormulaC18H16ClFN4O
Molecular Weight358.80 g/mol
Exact Mass358.10
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine
SMILESFc1cc(Cl)ccc1-c1nnc(NC[C@H]2CCCO2)c2cnccc12
InChIInChI=1S/C18H16ClFN4O/c19-11-3-4-14(16(20)8-11)17-13-5-6-21-10-15(13)18(24-23-17)22-9-12-2-1-7-25-12/h3-6,8,10,12H,1-2,7,9H2,(H,22,24)/t12-/m1/s1
InChIKeyWUIITUDYQLAKFC-GFCCVEGCSA-N
XLogP4.08
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-chloro-2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine with MolForge

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Related Compounds

US11702418, Example 20-1
CID 156495566
US11702418, Example 12-99
CID 160036860
US11702418, Example 12-77
CID 156527304
US11702418, Example 12-74
CID 157999752
Nlrp3-IN-31
CID 164754377
US11702418, Example 6-18
CID 156527289
1-(4-chloro-2-fluorophenyl)-4-((R)-2-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine
CID 57657607
1-(4-Chloro-2-fluorophenyl)-4-(2-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine
CID 68748495
4-{2-[(t-butoxycarbonyl)methylamino]pyridin-4-yl}-1-(6-chloropyridazin-3-yl)-3-(4-fluorophenyl)-1H-pyrazole
CID 86604013
7-chloro-3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-2,6-naphthyridin-1-amine
CID 139396029
1-[3-[(1R)-1-[(7-chloro-4-methylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]-2-fluorophenyl]-1,1-difluoro-2-methylpropan-2-ol
CID 156495582
7-chloro-N-[1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine
CID 156495619

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine (CID 165091561) is 1-(4-chloro-2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine is Fc1cc(Cl)ccc1-c1nnc(NC[C@H]2CCCO2)c2cnccc12.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine?
The InChIKey is WUIITUDYQLAKFC-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16ClFN4O/c19-11-3-4-14(16(20)8-11)17-13-5-6-21-10-15(13)18(24-23-17)22-9-12-2-1-7-25-12/h3-6,8,10,12H,1-2,7,9H2,(H,22,24)/t12-/m1/s1.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine?
1-(4-chloro-2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine has a molecular weight of 358.80 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 165091561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).