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

C27H30FN7 — CID 134327995

IUPAC6-fluoro-N-methyl-5-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2c1ccc(F)c2-c1cc2c(-c3ccc(N4CCN(C)CC4)nc3)n[nH]c2cn1
InChIInChI=1S/C27H30FN7/c1-29-22-5-3-4-19-18(22)7-8-21(28)26(19)23-14-20-24(16-30-23)32-33-27(20)17-6-9-25(31-15-17)35-12-10-34(2)11-13-35/h6-9,14-16,22,29H,3-5,10-13H2,1-2H3,(H,32,33)
InChIKeyOJKIJDBRDPFQDX-UHFFFAOYSA-N
MW471.58 g/mol
LogP4.17
Rot. Bonds4

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

6-fluoro-N-methyl-5-[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 134327995) has the molecular formula C27H30FN7 and a molecular weight of 471.58 g/mol. Its IUPAC name is 6-fluoro-N-methyl-5-[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 Name6-fluoro-N-methyl-5-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID134327995
Molecular FormulaC27H30FN7
Molecular Weight471.58 g/mol
Exact Mass471.25
IUPAC Name6-fluoro-N-methyl-5-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2c1ccc(F)c2-c1cc2c(-c3ccc(N4CCN(C)CC4)nc3)n[nH]c2cn1
InChIInChI=1S/C27H30FN7/c1-29-22-5-3-4-19-18(22)7-8-21(28)26(19)23-14-20-24(16-30-23)32-33-27(20)17-6-9-25(31-15-17)35-12-10-34(2)11-13-35/h6-9,14-16,22,29H,3-5,10-13H2,1-2H3,(H,32,33)
InChIKeyOJKIJDBRDPFQDX-UHFFFAOYSA-N
XLogP4.17
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-5-[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 6-fluoro-N-methyl-5-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 134327995) is 6-fluoro-N-methyl-5-[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 6-fluoro-N-methyl-5-[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 6-fluoro-N-methyl-5-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1CCCc2c1ccc(F)c2-c1cc2c(-c3ccc(N4CCN(C)CC4)nc3)n[nH]c2cn1.
What is the InChIKey of 6-fluoro-N-methyl-5-[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 OJKIJDBRDPFQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7/c1-29-22-5-3-4-19-18(22)7-8-21(28)26(19)23-14-20-24(16-30-23)32-33-27(20)17-6-9-25(31-15-17)35-12-10-34(2)11-13-35/h6-9,14-16,22,29H,3-5,10-13H2,1-2H3,(H,32,33).
What are the key properties of 6-fluoro-N-methyl-5-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
6-fluoro-N-methyl-5-[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 471.58 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-5-[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 134327995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).