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

C18H17ClN4O — CID 164991468

IUPAC4-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine
SMILESClc1ccc(-c2nnc(NC[C@H]3CCCO3)c3ccncc23)cc1
InChIInChI=1S/C18H17ClN4O/c19-13-5-3-12(4-6-13)17-16-11-20-8-7-15(16)18(23-22-17)21-10-14-2-1-9-24-14/h3-8,11,14H,1-2,9-10H2,(H,21,23)/t14-/m1/s1
InChIKeyGXMSCGINZTXKCB-CQSZACIVSA-N
MW340.81 g/mol
LogP3.94
Rot. Bonds4

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

4-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine (PubChem CID 164991468) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine
PubChem CID164991468
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name4-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine
SMILESClc1ccc(-c2nnc(NC[C@H]3CCCO3)c3ccncc23)cc1
InChIInChI=1S/C18H17ClN4O/c19-13-5-3-12(4-6-13)17-16-11-20-8-7-15(16)18(23-22-17)21-10-14-2-1-9-24-14/h3-8,11,14H,1-2,9-10H2,(H,21,23)/t14-/m1/s1
InChIKeyGXMSCGINZTXKCB-CQSZACIVSA-N
XLogP3.94
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-ol
CID 21036711
US11702418, Example 12-77
CID 156527304
3-(4-chlorophenyl)-5-methyl-N-[3-(morpholin-4-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 667170
Nlrp3-IN-31
CID 164754377
4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)phthalazin-1-amine
CID 164754458
US11702418, Example 6-18
CID 156527289
7-chloro-3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-2,6-naphthyridin-1-amine
CID 139396029
7-chloro-N-[1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine
CID 156495619
7-chloro-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine
CID 156496041
7-chloro-4-methyl-N-[2-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyridazin-1-amine
CID 156504133
N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine
CID 158308080
(2R)-2-[[1-(4-chlorophenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-3,3,3-trifluoropropan-1-ol
CID 164994153

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine (CID 164991468) is 4-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine is Clc1ccc(-c2nnc(NC[C@H]3CCCO3)c3ccncc23)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine?
The InChIKey is GXMSCGINZTXKCB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-13-5-3-12(4-6-13)17-16-11-20-8-7-15(16)18(23-22-17)21-10-14-2-1-9-24-14/h3-8,11,14H,1-2,9-10H2,(H,21,23)/t14-/m1/s1.
What are the key properties of 4-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine?
4-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine has a molecular weight of 340.81 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 164991468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).