1-[5-chloro-1-(1H-pyrazol-4-yl)indazol-6-yl]-4-methylpiperidin-4-ol

C16H18ClN5O — CID 155368806

IUPAC1-[5-chloro-1-(1H-pyrazol-4-yl)indazol-6-yl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2cc3c(cnn3-c3cn[nH]c3)cc2Cl)CC1
InChIInChI=1S/C16H18ClN5O/c1-16(23)2-4-21(5-3-16)15-7-14-11(6-13(15)17)8-20-22(14)12-9-18-19-10-12/h6-10,23H,2-5H2,1H3,(H,18,19)
InChIKeySQHVRDGRWMVHKW-UHFFFAOYSA-N
MW331.81 g/mol
LogP2.75
Rot. Bonds2

About 1-[5-chloro-1-(1H-pyrazol-4-yl)indazol-6-yl]-4-methylpiperidin-4-ol

1-[5-chloro-1-(1H-pyrazol-4-yl)indazol-6-yl]-4-methylpiperidin-4-ol (PubChem CID 155368806) has the molecular formula C16H18ClN5O and a molecular weight of 331.81 g/mol. Its IUPAC name is 1-[5-chloro-1-(1H-pyrazol-4-yl)indazol-6-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[5-chloro-1-(1H-pyrazol-4-yl)indazol-6-yl]-4-methylpiperidin-4-ol
PubChem CID155368806
Molecular FormulaC16H18ClN5O
Molecular Weight331.81 g/mol
Exact Mass331.12
IUPAC Name1-[5-chloro-1-(1H-pyrazol-4-yl)indazol-6-yl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2cc3c(cnn3-c3cn[nH]c3)cc2Cl)CC1
InChIInChI=1S/C16H18ClN5O/c1-16(23)2-4-21(5-3-16)15-7-14-11(6-13(15)17)8-20-22(14)12-9-18-19-10-12/h6-10,23H,2-5H2,1H3,(H,18,19)
InChIKeySQHVRDGRWMVHKW-UHFFFAOYSA-N
XLogP2.75
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-chloro-1-(1H-pyrazol-4-yl)indazol-6-yl]-4-methylpiperidin-4-ol 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 1-[5-chloro-1-(1H-pyrazol-4-yl)indazol-6-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[5-chloro-1-(1H-pyrazol-4-yl)indazol-6-yl]-4-methylpiperidin-4-ol (CID 155368806) is 1-[5-chloro-1-(1H-pyrazol-4-yl)indazol-6-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[5-chloro-1-(1H-pyrazol-4-yl)indazol-6-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[5-chloro-1-(1H-pyrazol-4-yl)indazol-6-yl]-4-methylpiperidin-4-ol is CC1(O)CCN(c2cc3c(cnn3-c3cn[nH]c3)cc2Cl)CC1.
What is the InChIKey of 1-[5-chloro-1-(1H-pyrazol-4-yl)indazol-6-yl]-4-methylpiperidin-4-ol?
The InChIKey is SQHVRDGRWMVHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O/c1-16(23)2-4-21(5-3-16)15-7-14-11(6-13(15)17)8-20-22(14)12-9-18-19-10-12/h6-10,23H,2-5H2,1H3,(H,18,19).
What are the key properties of 1-[5-chloro-1-(1H-pyrazol-4-yl)indazol-6-yl]-4-methylpiperidin-4-ol?
1-[5-chloro-1-(1H-pyrazol-4-yl)indazol-6-yl]-4-methylpiperidin-4-ol has a molecular weight of 331.81 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-1-(1H-pyrazol-4-yl)indazol-6-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 155368806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).