[6-[6-[6-[(2S)-pentan-2-yl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol

C23H24N4O — CID 145002293

IUPAC[6-[6-[6-[(2S)-pentan-2-yl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
SMILESCCC[C@H](C)c1cccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C23H24N4O/c1-3-6-16(2)20-8-5-9-21(26-20)17-11-12-18-14-24-27(22(18)13-17)23-10-4-7-19(15-28)25-23/h4-5,7-14,16,28H,3,6,15H2,1-2H3/t16-/m0/s1
InChIKeyATLLAIZCYVQSCL-INIZCTEOSA-N
MW372.47 g/mol
LogP4.88
Rot. Bonds6

About [6-[6-[6-[(2S)-pentan-2-yl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol

[6-[6-[6-[(2S)-pentan-2-yl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 145002293) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is [6-[6-[6-[(2S)-pentan-2-yl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-[(2S)-pentan-2-yl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
PubChem CID145002293
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name[6-[6-[6-[(2S)-pentan-2-yl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
SMILESCCC[C@H](C)c1cccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C23H24N4O/c1-3-6-16(2)20-8-5-9-21(26-20)17-11-12-18-14-24-27(22(18)13-17)23-10-4-7-19(15-28)25-23/h4-5,7-14,16,28H,3,6,15H2,1-2H3/t16-/m0/s1
InChIKeyATLLAIZCYVQSCL-INIZCTEOSA-N
XLogP4.88
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[5-(3-Propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 59186268
[6-Phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]methanol
CID 71602073
4-(6-(6-(1-Methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyridin-2-yl)azepan-4-ol
CID 72714576
US10246456, Example 564
CID 118663642
US10246456, Example 579
CID 118663645
US10246456, Example 437
CID 118663658
US10577367, Example 452
CID 118663769
US10246456, Example 427
CID 118663821
US10246456, Example 545
CID 118663832
US10246456, Example 57
CID 118663877
US10246456, Example 383
CID 118663906
US10246456, Example 333
CID 118663918

Frequently Asked Questions

What is the IUPAC name of [6-[6-[6-[(2S)-pentan-2-yl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-[(2S)-pentan-2-yl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol (CID 145002293) is [6-[6-[6-[(2S)-pentan-2-yl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-[(2S)-pentan-2-yl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-[(2S)-pentan-2-yl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol is CCC[C@H](C)c1cccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-[6-[(2S)-pentan-2-yl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is ATLLAIZCYVQSCL-INIZCTEOSA-N. The full InChI is InChI=1S/C23H24N4O/c1-3-6-16(2)20-8-5-9-21(26-20)17-11-12-18-14-24-27(22(18)13-17)23-10-4-7-19(15-28)25-23/h4-5,7-14,16,28H,3,6,15H2,1-2H3/t16-/m0/s1.
What are the key properties of [6-[6-[6-[(2S)-pentan-2-yl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-[(2S)-pentan-2-yl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 372.47 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[6-[(2S)-pentan-2-yl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 145002293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).