[6-[6-(6-butyl-2-pyridinyl)-4-(1,5-dimethylpyrazol-3-yl)indazol-1-yl]-2-pyridinyl]methanol

C27H28N6O — CID 145002491

IUPAC[6-[6-(6-butyl-2-pyridinyl)-4-(1,5-dimethylpyrazol-3-yl)indazol-1-yl]-2-pyridinyl]methanol
SMILESCCCCc1cccc(-c2cc(-c3cc(C)n(C)n3)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C27H28N6O/c1-4-5-8-20-9-6-11-24(29-20)19-14-22(25-13-18(2)32(3)31-25)23-16-28-33(26(23)15-19)27-12-7-10-21(17-34)30-27/h6-7,9-16,34H,4-5,8,17H2,1-3H3
InChIKeyWHLDUQRDTQSJTM-UHFFFAOYSA-N
MW452.56 g/mol
LogP5.03
Rot. Bonds7

About [6-[6-(6-butyl-2-pyridinyl)-4-(1,5-dimethylpyrazol-3-yl)indazol-1-yl]-2-pyridinyl]methanol

[6-[6-(6-butyl-2-pyridinyl)-4-(1,5-dimethylpyrazol-3-yl)indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 145002491) has the molecular formula C27H28N6O and a molecular weight of 452.56 g/mol. Its IUPAC name is [6-[6-(6-butyl-2-pyridinyl)-4-(1,5-dimethylpyrazol-3-yl)indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-(6-butyl-2-pyridinyl)-4-(1,5-dimethylpyrazol-3-yl)indazol-1-yl]-2-pyridinyl]methanol
PubChem CID145002491
Molecular FormulaC27H28N6O
Molecular Weight452.56 g/mol
Exact Mass452.23
IUPAC Name[6-[6-(6-butyl-2-pyridinyl)-4-(1,5-dimethylpyrazol-3-yl)indazol-1-yl]-2-pyridinyl]methanol
SMILESCCCCc1cccc(-c2cc(-c3cc(C)n(C)n3)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C27H28N6O/c1-4-5-8-20-9-6-11-24(29-20)19-14-22(25-13-18(2)32(3)31-25)23-16-28-33(26(23)15-19)27-12-7-10-21(17-34)30-27/h6-7,9-16,34H,4-5,8,17H2,1-3H3
InChIKeyWHLDUQRDTQSJTM-UHFFFAOYSA-N
XLogP5.03
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6-[6-(6-butyl-2-pyridinyl)-4-(1,5-dimethylpyrazol-3-yl)indazol-1-yl]-2-pyridinyl]methanol with MolForge

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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
[4-[[5-(1-Ethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 59186263
[1-[(2,5-Dimethylphenyl)methyl]-6-(1-methylpyrazol-4-yl)benzimidazol-2-yl]-pyridin-4-ylmethanol
CID 72700327
US10954240, Example 47
CID 118930313
[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
[1-[1-[6-(1-Methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol
CID 117754159
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

Frequently Asked Questions

What is the IUPAC name of [6-[6-(6-butyl-2-pyridinyl)-4-(1,5-dimethylpyrazol-3-yl)indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-(6-butyl-2-pyridinyl)-4-(1,5-dimethylpyrazol-3-yl)indazol-1-yl]-2-pyridinyl]methanol (CID 145002491) is [6-[6-(6-butyl-2-pyridinyl)-4-(1,5-dimethylpyrazol-3-yl)indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-(6-butyl-2-pyridinyl)-4-(1,5-dimethylpyrazol-3-yl)indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-(6-butyl-2-pyridinyl)-4-(1,5-dimethylpyrazol-3-yl)indazol-1-yl]-2-pyridinyl]methanol is CCCCc1cccc(-c2cc(-c3cc(C)n(C)n3)c3cnn(-c4cccc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-(6-butyl-2-pyridinyl)-4-(1,5-dimethylpyrazol-3-yl)indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is WHLDUQRDTQSJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O/c1-4-5-8-20-9-6-11-24(29-20)19-14-22(25-13-18(2)32(3)31-25)23-16-28-33(26(23)15-19)27-12-7-10-21(17-34)30-27/h6-7,9-16,34H,4-5,8,17H2,1-3H3.
What are the key properties of [6-[6-(6-butyl-2-pyridinyl)-4-(1,5-dimethylpyrazol-3-yl)indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-(6-butyl-2-pyridinyl)-4-(1,5-dimethylpyrazol-3-yl)indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 452.56 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-(6-butyl-2-pyridinyl)-4-(1,5-dimethylpyrazol-3-yl)indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 145002491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).