6-fluoro-8-methyl-7-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydroisoquinoline

C25H27FN8 — CID 134326809

IUPAC6-fluoro-8-methyl-7-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydroisoquinoline
SMILESCc1c2c(cc(F)c1-c1ncc3[nH]nc(-c4ccc(N5CCN(C)CC5)nc4)c3n1)CCNC2
InChIInChI=1S/C25H27FN8/c1-15-18-13-27-6-5-16(18)11-19(26)22(15)25-29-14-20-24(30-25)23(32-31-20)17-3-4-21(28-12-17)34-9-7-33(2)8-10-34/h3-4,11-12,14,27H,5-10,13H2,1-2H3,(H,31,32)
InChIKeyLYWFBTNYTGCJLP-UHFFFAOYSA-N
MW458.55 g/mol
LogP2.93
Rot. Bonds3

About 6-fluoro-8-methyl-7-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydroisoquinoline

6-fluoro-8-methyl-7-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 134326809) has the molecular formula C25H27FN8 and a molecular weight of 458.55 g/mol. Its IUPAC name is 6-fluoro-8-methyl-7-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-fluoro-8-methyl-7-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID134326809
Molecular FormulaC25H27FN8
Molecular Weight458.55 g/mol
Exact Mass458.23
IUPAC Name6-fluoro-8-methyl-7-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydroisoquinoline
SMILESCc1c2c(cc(F)c1-c1ncc3[nH]nc(-c4ccc(N5CCN(C)CC5)nc4)c3n1)CCNC2
InChIInChI=1S/C25H27FN8/c1-15-18-13-27-6-5-16(18)11-19(26)22(15)25-29-14-20-24(30-25)23(32-31-20)17-3-4-21(28-12-17)34-9-7-33(2)8-10-34/h3-4,11-12,14,27H,5-10,13H2,1-2H3,(H,31,32)
InChIKeyLYWFBTNYTGCJLP-UHFFFAOYSA-N
XLogP2.93
TPSA85.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-8-methyl-7-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydroisoquinoline with MolForge

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Launch Full Analysis

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1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
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6-phenyl-7-[4-({4-[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}methyl)phenyl]pyrido[2,3-d]pyrimidine-2-carbonitrile
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N-methyl-6-phenyl-7-[4-({4-[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}methyl)phenyl]pyrido[2,3-d]pyrimidin-2-amine
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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methyl-7-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-fluoro-8-methyl-7-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydroisoquinoline (CID 134326809) is 6-fluoro-8-methyl-7-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-fluoro-8-methyl-7-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-fluoro-8-methyl-7-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydroisoquinoline is Cc1c2c(cc(F)c1-c1ncc3[nH]nc(-c4ccc(N5CCN(C)CC5)nc4)c3n1)CCNC2.
What is the InChIKey of 6-fluoro-8-methyl-7-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is LYWFBTNYTGCJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN8/c1-15-18-13-27-6-5-16(18)11-19(26)22(15)25-29-14-20-24(30-25)23(32-31-20)17-3-4-21(28-12-17)34-9-7-33(2)8-10-34/h3-4,11-12,14,27H,5-10,13H2,1-2H3,(H,31,32).
What are the key properties of 6-fluoro-8-methyl-7-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydroisoquinoline?
6-fluoro-8-methyl-7-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 458.55 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methyl-7-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 134326809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).