N-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-1-(4-methoxyphenyl)pyrido[3,4-d]pyridazin-4-amine

C21H24FN5O — CID 169230521

IUPACN-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-1-(4-methoxyphenyl)pyrido[3,4-d]pyridazin-4-amine
SMILESCOc1ccc(-c2nnc(N[C@@H]3CCCN(CCF)C3)c3cnccc23)cc1
InChIInChI=1S/C21H24FN5O/c1-28-17-6-4-15(5-7-17)20-18-8-10-23-13-19(18)21(26-25-20)24-16-3-2-11-27(14-16)12-9-22/h4-8,10,13,16H,2-3,9,11-12,14H2,1H3,(H,24,26)/t16-/m1/s1
InChIKeyZWPORLXVJVEYPN-MRXNPFEDSA-N
MW381.45 g/mol
LogP3.55
Rot. Bonds6

About N-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-1-(4-methoxyphenyl)pyrido[3,4-d]pyridazin-4-amine

N-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-1-(4-methoxyphenyl)pyrido[3,4-d]pyridazin-4-amine (PubChem CID 169230521) has the molecular formula C21H24FN5O and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-1-(4-methoxyphenyl)pyrido[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound NameN-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-1-(4-methoxyphenyl)pyrido[3,4-d]pyridazin-4-amine
PubChem CID169230521
Molecular FormulaC21H24FN5O
Molecular Weight381.45 g/mol
Exact Mass381.20
IUPAC NameN-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-1-(4-methoxyphenyl)pyrido[3,4-d]pyridazin-4-amine
SMILESCOc1ccc(-c2nnc(N[C@@H]3CCCN(CCF)C3)c3cnccc23)cc1
InChIInChI=1S/C21H24FN5O/c1-28-17-6-4-15(5-7-17)20-18-8-10-23-13-19(18)21(26-25-20)24-16-3-2-11-27(14-16)12-9-22/h4-8,10,13,16H,2-3,9,11-12,14H2,1H3,(H,24,26)/t16-/m1/s1
InChIKeyZWPORLXVJVEYPN-MRXNPFEDSA-N
XLogP3.55
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-1-(4-methoxyphenyl)pyrido[3,4-d]pyridazin-4-amine with MolForge

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Related Compounds

N-[1-(2-fluoroethyl)piperidin-3-yl]-4-(4-methoxyphenyl)phthalazin-1-amine
CID 169230447
4-(4-chlorophenyl)-N-[1-(2-fluoroethyl)piperidin-3-yl]phthalazin-1-amine
CID 169230288
1-(3-fluoro-4-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 169230290
1-[4-methoxy-2-(trifluoromethyl)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 171852341
formic acid;5-methoxy-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol
CID 175599345
3-fluoro-2-[4-[[(3R)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyrido[3,4-d]pyridazin-1-yl]-5-methylphenol
CID 171852590
1-chloro-N-[(3R)-1-ethylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 171830814
5-chloro-3-fluoro-2-[4-[[(3R)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol
CID 171852585
2-[4-[[1-(2-fluoroethyl)piperidin-3-yl]amino]phthalazin-1-yl]phenol
CID 170165639
N-[(3R)-1-[2-(difluoromethoxy)ethyl]piperidin-3-yl]-1-[2-methoxy-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine;formic acid
CID 175849958
N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]phthalazin-1-amine
CID 170553920
1-[2-(difluoromethyl)phenyl]-N-(1-methylpiperidin-3-yl)pyrido[3,4-d]pyridazin-4-amine
CID 170165090

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-1-(4-methoxyphenyl)pyrido[3,4-d]pyridazin-4-amine?
The IUPAC name of N-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-1-(4-methoxyphenyl)pyrido[3,4-d]pyridazin-4-amine (CID 169230521) is N-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-1-(4-methoxyphenyl)pyrido[3,4-d]pyridazin-4-amine.
What is the SMILES notation for N-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-1-(4-methoxyphenyl)pyrido[3,4-d]pyridazin-4-amine?
The canonical SMILES for N-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-1-(4-methoxyphenyl)pyrido[3,4-d]pyridazin-4-amine is COc1ccc(-c2nnc(N[C@@H]3CCCN(CCF)C3)c3cnccc23)cc1.
What is the InChIKey of N-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-1-(4-methoxyphenyl)pyrido[3,4-d]pyridazin-4-amine?
The InChIKey is ZWPORLXVJVEYPN-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-28-17-6-4-15(5-7-17)20-18-8-10-23-13-19(18)21(26-25-20)24-16-3-2-11-27(14-16)12-9-22/h4-8,10,13,16H,2-3,9,11-12,14H2,1H3,(H,24,26)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-1-(4-methoxyphenyl)pyrido[3,4-d]pyridazin-4-amine?
N-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-1-(4-methoxyphenyl)pyrido[3,4-d]pyridazin-4-amine has a molecular weight of 381.45 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-1-(4-methoxyphenyl)pyrido[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 169230521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).