5-chloro-6-[1-(3-methyloxolan-3-yl)piperidin-4-yl]-1-(1-methylpyrazol-4-yl)indazole

C21H26ClN5O — CID 162502630

IUPAC5-chloro-6-[1-(3-methyloxolan-3-yl)piperidin-4-yl]-1-(1-methylpyrazol-4-yl)indazole
SMILESCn1cc(-n2ncc3cc(Cl)c(C4CCN(C5(C)CCOC5)CC4)cc32)cn1
InChIInChI=1S/C21H26ClN5O/c1-21(5-8-28-14-21)26-6-3-15(4-7-26)18-10-20-16(9-19(18)22)11-24-27(20)17-12-23-25(2)13-17/h9-13,15H,3-8,14H2,1-2H3
InChIKeyMZGCDXBWMHYSNH-UHFFFAOYSA-N
MW399.93 g/mol
LogP3.77
Rot. Bonds3

About 5-chloro-6-[1-(3-methyloxolan-3-yl)piperidin-4-yl]-1-(1-methylpyrazol-4-yl)indazole

5-chloro-6-[1-(3-methyloxolan-3-yl)piperidin-4-yl]-1-(1-methylpyrazol-4-yl)indazole (PubChem CID 162502630) has the molecular formula C21H26ClN5O and a molecular weight of 399.93 g/mol. Its IUPAC name is 5-chloro-6-[1-(3-methyloxolan-3-yl)piperidin-4-yl]-1-(1-methylpyrazol-4-yl)indazole.

Molecular Properties

Compound Name5-chloro-6-[1-(3-methyloxolan-3-yl)piperidin-4-yl]-1-(1-methylpyrazol-4-yl)indazole
PubChem CID162502630
Molecular FormulaC21H26ClN5O
Molecular Weight399.93 g/mol
Exact Mass399.18
IUPAC Name5-chloro-6-[1-(3-methyloxolan-3-yl)piperidin-4-yl]-1-(1-methylpyrazol-4-yl)indazole
SMILESCn1cc(-n2ncc3cc(Cl)c(C4CCN(C5(C)CCOC5)CC4)cc32)cn1
InChIInChI=1S/C21H26ClN5O/c1-21(5-8-28-14-21)26-6-3-15(4-7-26)18-10-20-16(9-19(18)22)11-24-27(20)17-12-23-25(2)13-17/h9-13,15H,3-8,14H2,1-2H3
InChIKeyMZGCDXBWMHYSNH-UHFFFAOYSA-N
XLogP3.77
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[1-(3-methyloxolan-3-yl)piperidin-4-yl]-1-(1-methylpyrazol-4-yl)indazole?
The IUPAC name of 5-chloro-6-[1-(3-methyloxolan-3-yl)piperidin-4-yl]-1-(1-methylpyrazol-4-yl)indazole (CID 162502630) is 5-chloro-6-[1-(3-methyloxolan-3-yl)piperidin-4-yl]-1-(1-methylpyrazol-4-yl)indazole.
What is the SMILES notation for 5-chloro-6-[1-(3-methyloxolan-3-yl)piperidin-4-yl]-1-(1-methylpyrazol-4-yl)indazole?
The canonical SMILES for 5-chloro-6-[1-(3-methyloxolan-3-yl)piperidin-4-yl]-1-(1-methylpyrazol-4-yl)indazole is Cn1cc(-n2ncc3cc(Cl)c(C4CCN(C5(C)CCOC5)CC4)cc32)cn1.
What is the InChIKey of 5-chloro-6-[1-(3-methyloxolan-3-yl)piperidin-4-yl]-1-(1-methylpyrazol-4-yl)indazole?
The InChIKey is MZGCDXBWMHYSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O/c1-21(5-8-28-14-21)26-6-3-15(4-7-26)18-10-20-16(9-19(18)22)11-24-27(20)17-12-23-25(2)13-17/h9-13,15H,3-8,14H2,1-2H3.
What are the key properties of 5-chloro-6-[1-(3-methyloxolan-3-yl)piperidin-4-yl]-1-(1-methylpyrazol-4-yl)indazole?
5-chloro-6-[1-(3-methyloxolan-3-yl)piperidin-4-yl]-1-(1-methylpyrazol-4-yl)indazole has a molecular weight of 399.93 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[1-(3-methyloxolan-3-yl)piperidin-4-yl]-1-(1-methylpyrazol-4-yl)indazole is sourced from PubChem (CID 162502630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).