7-[1-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C25H24N8O — CID 90288621

IUPAC7-[1-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCOc1cccc(Cn2cc(-c3cnc4ccc(Nc5cc(C(C)C)cnn5)nc4c3)cn2)n1
InChIInChI=1S/C25H24N8O/c1-16(2)17-10-24(32-27-12-17)31-23-8-7-21-22(30-23)9-18(11-26-21)19-13-28-33(14-19)15-20-5-4-6-25(29-20)34-3/h4-14,16H,15H2,1-3H3,(H,30,31,32)
InChIKeyLTKPVFGQXQXUFT-UHFFFAOYSA-N
MW452.52 g/mol
LogP4.60
Rot. Bonds7

About 7-[1-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[1-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 90288621) has the molecular formula C25H24N8O and a molecular weight of 452.52 g/mol. Its IUPAC name is 7-[1-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID90288621
Molecular FormulaC25H24N8O
Molecular Weight452.52 g/mol
Exact Mass452.21
IUPAC Name7-[1-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCOc1cccc(Cn2cc(-c3cnc4ccc(Nc5cc(C(C)C)cnn5)nc4c3)cn2)n1
InChIInChI=1S/C25H24N8O/c1-16(2)17-10-24(32-27-12-17)31-23-8-7-21-22(30-23)9-18(11-26-21)19-13-28-33(14-19)15-20-5-4-6-25(29-20)34-3/h4-14,16H,15H2,1-3H3,(H,30,31,32)
InChIKeyLTKPVFGQXQXUFT-UHFFFAOYSA-N
XLogP4.60
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N2-(2-Methoxy-4-(1-Methyl-1h-Pyrazol-4-Yl)phenyl)-N8-Neopentylpyrido[3,4-D]pyrimidine-2,8-Diamine
CID 73387064
Pyridazino(4,3-c)isoquinoline, 3-(4-methoxyphenyl)-6-(1-pyrrolidinyl)-
CID 13526633
7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
8-N-cyclohexyl-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386878
(2S)-1-[4-[4-[[7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]propan-2-ol
CID 57390492
7-(6-methoxy-3-pyridinyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57390672
2-[4-[4-[[7-(6-Methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
CID 57397964
(S)-1-(3-methoxy-6-(6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyridin-2-yl)piperidin-3-amine
CID 77050662
N2-(4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-methoxyphenyl)-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 90000938
6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine
CID 155817683
N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57390673
5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 655783

Frequently Asked Questions

What is the IUPAC name of 7-[1-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[1-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 90288621) is 7-[1-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[1-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[1-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is COc1cccc(Cn2cc(-c3cnc4ccc(Nc5cc(C(C)C)cnn5)nc4c3)cn2)n1.
What is the InChIKey of 7-[1-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is LTKPVFGQXQXUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O/c1-16(2)17-10-24(32-27-12-17)31-23-8-7-21-22(30-23)9-18(11-26-21)19-13-28-33(14-19)15-20-5-4-6-25(29-20)34-3/h4-14,16H,15H2,1-3H3,(H,30,31,32).
What are the key properties of 7-[1-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 452.52 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90288621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).