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

C22H23FN8O — CID 90398418

IUPAC6-fluoro-5-(1-methylcyclopropyl)oxy-3-[6-[4-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole
SMILESCC1(Oc2cc3c(-c4cc(N5CCN(c6cn[nH]c6)CC5)ncn4)n[nH]c3cc2F)CC1
InChIInChI=1S/C22H23FN8O/c1-22(2-3-22)32-19-8-15-17(9-16(19)23)28-29-21(15)18-10-20(25-13-24-18)31-6-4-30(5-7-31)14-11-26-27-12-14/h8-13H,2-7H2,1H3,(H,26,27)(H,28,29)
InChIKeyOXRXJOFIWDKJFF-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.14
Rot. Bonds5

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

6-fluoro-5-(1-methylcyclopropyl)oxy-3-[6-[4-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole (PubChem CID 90398418) has the molecular formula C22H23FN8O and a molecular weight of 434.48 g/mol. Its IUPAC name is 6-fluoro-5-(1-methylcyclopropyl)oxy-3-[6-[4-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole.

Molecular Properties

Compound Name6-fluoro-5-(1-methylcyclopropyl)oxy-3-[6-[4-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole
PubChem CID90398418
Molecular FormulaC22H23FN8O
Molecular Weight434.48 g/mol
Exact Mass434.20
IUPAC Name6-fluoro-5-(1-methylcyclopropyl)oxy-3-[6-[4-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole
SMILESCC1(Oc2cc3c(-c4cc(N5CCN(c6cn[nH]c6)CC5)ncn4)n[nH]c3cc2F)CC1
InChIInChI=1S/C22H23FN8O/c1-22(2-3-22)32-19-8-15-17(9-16(19)23)28-29-21(15)18-10-20(25-13-24-18)31-6-4-30(5-7-31)14-11-26-27-12-14/h8-13H,2-7H2,1H3,(H,26,27)(H,28,29)
InChIKeyOXRXJOFIWDKJFF-UHFFFAOYSA-N
XLogP3.14
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-5-(1-methylcyclopropyl)oxy-3-[6-[4-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-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-5-(1-methylcyclopropyl)oxy-3-[6-[4-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole?
The IUPAC name of 6-fluoro-5-(1-methylcyclopropyl)oxy-3-[6-[4-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole (CID 90398418) is 6-fluoro-5-(1-methylcyclopropyl)oxy-3-[6-[4-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole.
What is the SMILES notation for 6-fluoro-5-(1-methylcyclopropyl)oxy-3-[6-[4-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole?
The canonical SMILES for 6-fluoro-5-(1-methylcyclopropyl)oxy-3-[6-[4-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole is CC1(Oc2cc3c(-c4cc(N5CCN(c6cn[nH]c6)CC5)ncn4)n[nH]c3cc2F)CC1.
What is the InChIKey of 6-fluoro-5-(1-methylcyclopropyl)oxy-3-[6-[4-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole?
The InChIKey is OXRXJOFIWDKJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN8O/c1-22(2-3-22)32-19-8-15-17(9-16(19)23)28-29-21(15)18-10-20(25-13-24-18)31-6-4-30(5-7-31)14-11-26-27-12-14/h8-13H,2-7H2,1H3,(H,26,27)(H,28,29).
What are the key properties of 6-fluoro-5-(1-methylcyclopropyl)oxy-3-[6-[4-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole?
6-fluoro-5-(1-methylcyclopropyl)oxy-3-[6-[4-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole has a molecular weight of 434.48 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-(1-methylcyclopropyl)oxy-3-[6-[4-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole is sourced from PubChem (CID 90398418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).