6-fluoro-3-[6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole

C25H26FN7O2 — CID 118657080

IUPAC6-fluoro-3-[6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
SMILESCOc1ccnc(N2CCN(c3cc(-c4n[nH]c5cc(F)c(OC6(C)CC6)cc45)ncn3)CC2)c1
InChIInChI=1S/C25H26FN7O2/c1-25(4-5-25)35-21-12-17-19(13-18(21)26)30-31-24(17)20-14-23(29-15-28-20)33-9-7-32(8-10-33)22-11-16(34-2)3-6-27-22/h3,6,11-15H,4-5,7-10H2,1-2H3,(H,30,31)
InChIKeyLSTKSAMJHLJGOQ-UHFFFAOYSA-N
MW475.53 g/mol
LogP3.82
Rot. Bonds6

About 6-fluoro-3-[6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole

6-fluoro-3-[6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole (PubChem CID 118657080) has the molecular formula C25H26FN7O2 and a molecular weight of 475.53 g/mol. Its IUPAC name is 6-fluoro-3-[6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole.

Molecular Properties

Compound Name6-fluoro-3-[6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
PubChem CID118657080
Molecular FormulaC25H26FN7O2
Molecular Weight475.53 g/mol
Exact Mass475.21
IUPAC Name6-fluoro-3-[6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
SMILESCOc1ccnc(N2CCN(c3cc(-c4n[nH]c5cc(F)c(OC6(C)CC6)cc45)ncn3)CC2)c1
InChIInChI=1S/C25H26FN7O2/c1-25(4-5-25)35-21-12-17-19(13-18(21)26)30-31-24(17)20-14-23(29-15-28-20)33-9-7-32(8-10-33)22-11-16(34-2)3-6-27-22/h3,6,11-15H,4-5,7-10H2,1-2H3,(H,30,31)
InChIKeyLSTKSAMJHLJGOQ-UHFFFAOYSA-N
XLogP3.82
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-fluoro-3-[6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole?
The IUPAC name of 6-fluoro-3-[6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole (CID 118657080) is 6-fluoro-3-[6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole.
What is the SMILES notation for 6-fluoro-3-[6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole?
The canonical SMILES for 6-fluoro-3-[6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole is COc1ccnc(N2CCN(c3cc(-c4n[nH]c5cc(F)c(OC6(C)CC6)cc45)ncn3)CC2)c1.
What is the InChIKey of 6-fluoro-3-[6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole?
The InChIKey is LSTKSAMJHLJGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O2/c1-25(4-5-25)35-21-12-17-19(13-18(21)26)30-31-24(17)20-14-23(29-15-28-20)33-9-7-32(8-10-33)22-11-16(34-2)3-6-27-22/h3,6,11-15H,4-5,7-10H2,1-2H3,(H,30,31).
What are the key properties of 6-fluoro-3-[6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole?
6-fluoro-3-[6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole has a molecular weight of 475.53 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole is sourced from PubChem (CID 118657080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).