5,7-difluoro-6-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine

C26H27F2N7 — CID 134327936

IUPAC5,7-difluoro-6-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN1CCN(c2ccc(-c3n[nH]c4cnc(-c5c(F)cc6c(c5F)CCCC6N)cc34)cn2)CC1
InChIInChI=1S/C26H27F2N7/c1-34-7-9-35(10-8-34)23-6-5-15(13-31-23)26-18-12-21(30-14-22(18)32-33-26)24-19(27)11-17-16(25(24)28)3-2-4-20(17)29/h5-6,11-14,20H,2-4,7-10,29H2,1H3,(H,32,33)
InChIKeyXWVWHLURBYTBRJ-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.05
Rot. Bonds3

About 5,7-difluoro-6-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine

5,7-difluoro-6-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 134327936) has the molecular formula C26H27F2N7 and a molecular weight of 475.55 g/mol. Its IUPAC name is 5,7-difluoro-6-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5,7-difluoro-6-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID134327936
Molecular FormulaC26H27F2N7
Molecular Weight475.55 g/mol
Exact Mass475.23
IUPAC Name5,7-difluoro-6-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN1CCN(c2ccc(-c3n[nH]c4cnc(-c5c(F)cc6c(c5F)CCCC6N)cc34)cn2)CC1
InChIInChI=1S/C26H27F2N7/c1-34-7-9-35(10-8-34)23-6-5-15(13-31-23)26-18-12-21(30-14-22(18)32-33-26)24-19(27)11-17-16(25(24)28)3-2-4-20(17)29/h5-6,11-14,20H,2-4,7-10,29H2,1H3,(H,32,33)
InChIKeyXWVWHLURBYTBRJ-UHFFFAOYSA-N
XLogP4.05
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5,7-difluoro-6-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-6-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5,7-difluoro-6-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 134327936) is 5,7-difluoro-6-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5,7-difluoro-6-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5,7-difluoro-6-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is CN1CCN(c2ccc(-c3n[nH]c4cnc(-c5c(F)cc6c(c5F)CCCC6N)cc34)cn2)CC1.
What is the InChIKey of 5,7-difluoro-6-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is XWVWHLURBYTBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N7/c1-34-7-9-35(10-8-34)23-6-5-15(13-31-23)26-18-12-21(30-14-22(18)32-33-26)24-19(27)11-17-16(25(24)28)3-2-4-20(17)29/h5-6,11-14,20H,2-4,7-10,29H2,1H3,(H,32,33).
What are the key properties of 5,7-difluoro-6-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
5,7-difluoro-6-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 475.55 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-6-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 134327936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).