5-chloro-1-[1-(5-fluoropyrimidin-2-yl)pyrazol-4-yl]-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazole

C23H23ClFN7O — CID 177380066

IUPAC5-chloro-1-[1-(5-fluoropyrimidin-2-yl)pyrazol-4-yl]-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazole
SMILESCC1(N2CCC(c3cc4c(cnn4-c4cnn(-c5ncc(F)cn5)c4)cc3Cl)CC2)COC1
InChIInChI=1S/C23H23ClFN7O/c1-23(13-33-14-23)30-4-2-15(3-5-30)19-7-21-16(6-20(19)24)8-29-32(21)18-11-28-31(12-18)22-26-9-17(25)10-27-22/h6-12,15H,2-5,13-14H2,1H3
InChIKeyOXFJJBCHCKBIKS-UHFFFAOYSA-N
MW467.94 g/mol
LogP3.76
Rot. Bonds4

About 5-chloro-1-[1-(5-fluoropyrimidin-2-yl)pyrazol-4-yl]-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazole

5-chloro-1-[1-(5-fluoropyrimidin-2-yl)pyrazol-4-yl]-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazole (PubChem CID 177380066) has the molecular formula C23H23ClFN7O and a molecular weight of 467.94 g/mol. Its IUPAC name is 5-chloro-1-[1-(5-fluoropyrimidin-2-yl)pyrazol-4-yl]-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazole.

Molecular Properties

Compound Name5-chloro-1-[1-(5-fluoropyrimidin-2-yl)pyrazol-4-yl]-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazole
PubChem CID177380066
Molecular FormulaC23H23ClFN7O
Molecular Weight467.94 g/mol
Exact Mass467.16
IUPAC Name5-chloro-1-[1-(5-fluoropyrimidin-2-yl)pyrazol-4-yl]-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazole
SMILESCC1(N2CCC(c3cc4c(cnn4-c4cnn(-c5ncc(F)cn5)c4)cc3Cl)CC2)COC1
InChIInChI=1S/C23H23ClFN7O/c1-23(13-33-14-23)30-4-2-15(3-5-30)19-7-21-16(6-20(19)24)8-29-32(21)18-11-28-31(12-18)22-26-9-17(25)10-27-22/h6-12,15H,2-5,13-14H2,1H3
InChIKeyOXFJJBCHCKBIKS-UHFFFAOYSA-N
XLogP3.76
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.94
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[1-(5-fluoropyrimidin-2-yl)pyrazol-4-yl]-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazole?
The IUPAC name of 5-chloro-1-[1-(5-fluoropyrimidin-2-yl)pyrazol-4-yl]-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazole (CID 177380066) is 5-chloro-1-[1-(5-fluoropyrimidin-2-yl)pyrazol-4-yl]-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazole.
What is the SMILES notation for 5-chloro-1-[1-(5-fluoropyrimidin-2-yl)pyrazol-4-yl]-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazole?
The canonical SMILES for 5-chloro-1-[1-(5-fluoropyrimidin-2-yl)pyrazol-4-yl]-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazole is CC1(N2CCC(c3cc4c(cnn4-c4cnn(-c5ncc(F)cn5)c4)cc3Cl)CC2)COC1.
What is the InChIKey of 5-chloro-1-[1-(5-fluoropyrimidin-2-yl)pyrazol-4-yl]-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazole?
The InChIKey is OXFJJBCHCKBIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN7O/c1-23(13-33-14-23)30-4-2-15(3-5-30)19-7-21-16(6-20(19)24)8-29-32(21)18-11-28-31(12-18)22-26-9-17(25)10-27-22/h6-12,15H,2-5,13-14H2,1H3.
What are the key properties of 5-chloro-1-[1-(5-fluoropyrimidin-2-yl)pyrazol-4-yl]-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazole?
5-chloro-1-[1-(5-fluoropyrimidin-2-yl)pyrazol-4-yl]-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazole has a molecular weight of 467.94 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[1-(5-fluoropyrimidin-2-yl)pyrazol-4-yl]-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazole is sourced from PubChem (CID 177380066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).