4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexan-1-ol

C26H25N5O — CID 71739812

IUPAC4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexan-1-ol
SMILESOC1CCC(n2cc(-c3ccc4cnn(Cc5ccc6ncccc6c5)c4c3)cn2)CC1
InChIInChI=1S/C26H25N5O/c32-24-8-6-23(7-9-24)30-17-22(15-28-30)19-4-5-21-14-29-31(26(21)13-19)16-18-3-10-25-20(12-18)2-1-11-27-25/h1-5,10-15,17,23-24,32H,6-9,16H2
InChIKeyAQKULDWMVLPKPM-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.97
Rot. Bonds4

About 4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexan-1-ol

4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexan-1-ol (PubChem CID 71739812) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is 4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexan-1-ol
PubChem CID71739812
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexan-1-ol
SMILESOC1CCC(n2cc(-c3ccc4cnn(Cc5ccc6ncccc6c5)c4c3)cn2)CC1
InChIInChI=1S/C26H25N5O/c32-24-8-6-23(7-9-24)30-17-22(15-28-30)19-4-5-21-14-29-31(26(21)13-19)16-18-3-10-25-20(12-18)2-1-11-27-25/h1-5,10-15,17,23-24,32H,6-9,16H2
InChIKeyAQKULDWMVLPKPM-UHFFFAOYSA-N
XLogP4.97
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexan-1-ol (CID 71739812) is 4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexan-1-ol is OC1CCC(n2cc(-c3ccc4cnn(Cc5ccc6ncccc6c5)c4c3)cn2)CC1.
What is the InChIKey of 4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexan-1-ol?
The InChIKey is AQKULDWMVLPKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c32-24-8-6-23(7-9-24)30-17-22(15-28-30)19-4-5-21-14-29-31(26(21)13-19)16-18-3-10-25-20(12-18)2-1-11-27-25/h1-5,10-15,17,23-24,32H,6-9,16H2.
What are the key properties of 4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexan-1-ol?
4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexan-1-ol has a molecular weight of 423.52 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 71739812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).