1-[6-[5-(5-ethenyl-2-methoxy-6-methyl-3-pyridinyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine

C25H27N7O — CID 123670336

IUPAC1-[6-[5-(5-ethenyl-2-methoxy-6-methyl-3-pyridinyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
SMILESC=Cc1cc(-c2ccc3[nH]nc(-c4cncc(N5CCC(N)CC5)n4)c3c2)c(OC)nc1C
InChIInChI=1S/C25H27N7O/c1-4-16-11-19(25(33-3)28-15(16)2)17-5-6-21-20(12-17)24(31-30-21)22-13-27-14-23(29-22)32-9-7-18(26)8-10-32/h4-6,11-14,18H,1,7-10,26H2,2-3H3,(H,30,31)
InChIKeyNGEXBTKDQOHUIM-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.97
Rot. Bonds5

About 1-[6-[5-(5-ethenyl-2-methoxy-6-methyl-3-pyridinyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine

1-[6-[5-(5-ethenyl-2-methoxy-6-methyl-3-pyridinyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine (PubChem CID 123670336) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 1-[6-[5-(5-ethenyl-2-methoxy-6-methyl-3-pyridinyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[6-[5-(5-ethenyl-2-methoxy-6-methyl-3-pyridinyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
PubChem CID123670336
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC Name1-[6-[5-(5-ethenyl-2-methoxy-6-methyl-3-pyridinyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
SMILESC=Cc1cc(-c2ccc3[nH]nc(-c4cncc(N5CCC(N)CC5)n4)c3c2)c(OC)nc1C
InChIInChI=1S/C25H27N7O/c1-4-16-11-19(25(33-3)28-15(16)2)17-5-6-21-20(12-17)24(31-30-21)22-13-27-14-23(29-22)32-9-7-18(26)8-10-32/h4-6,11-14,18H,1,7-10,26H2,2-3H3,(H,30,31)
InChIKeyNGEXBTKDQOHUIM-UHFFFAOYSA-N
XLogP3.97
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-(5-quinoxalin-6-yl-1H-indazol-3-yl)pyrazin-2-yl]piperidin-4-amine
CID 67959936
1-[6-[5-(3-fluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 67959669
1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 67959941
3-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indazol-5-yl]-N,N-diethyl-2-fluorobenzamide
CID 67959634
1-[6-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-4,5-dihydropyrimidin-2-yl]piperidin-4-amine
CID 163547408
1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine
CID 71253272
1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137117012
1-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]piperidin-4-amine;(2-methoxyquinolin-3-yl)boronic acid;1-[6-[6-(2-methoxyquinolin-3-yl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-4-amine
CID 160801995
1-[6-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137112195
N-cyclopropyl-6-[3-(6-methoxypyrazin-2-yl)-1H-indazol-5-yl]pyrazin-2-amine
CID 57387439
(4S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine
CID 71253468
1-[6-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137116753

Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(5-ethenyl-2-methoxy-6-methyl-3-pyridinyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[6-[5-(5-ethenyl-2-methoxy-6-methyl-3-pyridinyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine (CID 123670336) is 1-[6-[5-(5-ethenyl-2-methoxy-6-methyl-3-pyridinyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[6-[5-(5-ethenyl-2-methoxy-6-methyl-3-pyridinyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[6-[5-(5-ethenyl-2-methoxy-6-methyl-3-pyridinyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine is C=Cc1cc(-c2ccc3[nH]nc(-c4cncc(N5CCC(N)CC5)n4)c3c2)c(OC)nc1C.
What is the InChIKey of 1-[6-[5-(5-ethenyl-2-methoxy-6-methyl-3-pyridinyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine?
The InChIKey is NGEXBTKDQOHUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-4-16-11-19(25(33-3)28-15(16)2)17-5-6-21-20(12-17)24(31-30-21)22-13-27-14-23(29-22)32-9-7-18(26)8-10-32/h4-6,11-14,18H,1,7-10,26H2,2-3H3,(H,30,31).
What are the key properties of 1-[6-[5-(5-ethenyl-2-methoxy-6-methyl-3-pyridinyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine?
1-[6-[5-(5-ethenyl-2-methoxy-6-methyl-3-pyridinyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine has a molecular weight of 441.54 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(5-ethenyl-2-methoxy-6-methyl-3-pyridinyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine is sourced from PubChem (CID 123670336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).