N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine

C21H24ClN5O — CID 156527289

IUPACN-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
SMILESCc1c(Cl)cccc1[C@@H](C)Nc1nnc(C)c2cnc(N3CCOCC3)cc12
InChIInChI=1S/C21H24ClN5O/c1-13-16(5-4-6-19(13)22)14(2)24-21-17-11-20(27-7-9-28-10-8-27)23-12-18(17)15(3)25-26-21/h4-6,11-12,14H,7-10H2,1-3H3,(H,24,26)/t14-/m1/s1
InChIKeyRFQZJTVINJKBFN-CQSZACIVSA-N
MW397.91 g/mol
LogP4.30
Rot. Bonds4

About N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine

N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine (PubChem CID 156527289) has the molecular formula C21H24ClN5O and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
PubChem CID156527289
Molecular FormulaC21H24ClN5O
Molecular Weight397.91 g/mol
Exact Mass397.17
IUPAC NameN-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
SMILESCc1c(Cl)cccc1[C@@H](C)Nc1nnc(C)c2cnc(N3CCOCC3)cc12
InChIInChI=1S/C21H24ClN5O/c1-13-16(5-4-6-19(13)22)14(2)24-21-17-11-20(27-7-9-28-10-8-27)23-12-18(17)15(3)25-26-21/h4-6,11-12,14H,7-10H2,1-3H3,(H,24,26)/t14-/m1/s1
InChIKeyRFQZJTVINJKBFN-CQSZACIVSA-N
XLogP4.30
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
The IUPAC name of N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine (CID 156527289) is N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine.
What is the SMILES notation for N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
The canonical SMILES for N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine is Cc1c(Cl)cccc1[C@@H](C)Nc1nnc(C)c2cnc(N3CCOCC3)cc12.
What is the InChIKey of N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
The InChIKey is RFQZJTVINJKBFN-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24ClN5O/c1-13-16(5-4-6-19(13)22)14(2)24-21-17-11-20(27-7-9-28-10-8-27)23-12-18(17)15(3)25-26-21/h4-6,11-12,14H,7-10H2,1-3H3,(H,24,26)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine has a molecular weight of 397.91 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 156527289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).