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

C24H27N5O — CID 118663980

IUPAC[6-[6-[6-[(1S)-1-(dimethylamino)butyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
SMILESCCC[C@@H](c1cccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1)N(C)C
InChIInChI=1S/C24H27N5O/c1-4-7-22(28(2)3)21-10-6-9-20(27-21)17-12-13-18-15-25-29(23(18)14-17)24-11-5-8-19(16-30)26-24/h5-6,8-15,22,30H,4,7,16H2,1-3H3/t22-/m0/s1
InChIKeyFBWFORUAVXGUOD-QFIPXVFZSA-N
MW401.51 g/mol
LogP4.38
Rot. Bonds7

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

[6-[6-[6-[(1S)-1-(dimethylamino)butyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118663980) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is [6-[6-[6-[(1S)-1-(dimethylamino)butyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-[(1S)-1-(dimethylamino)butyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
PubChem CID118663980
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name[6-[6-[6-[(1S)-1-(dimethylamino)butyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
SMILESCCC[C@@H](c1cccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1)N(C)C
InChIInChI=1S/C24H27N5O/c1-4-7-22(28(2)3)21-10-6-9-20(27-21)17-12-13-18-15-25-29(23(18)14-17)24-11-5-8-19(16-30)26-24/h5-6,8-15,22,30H,4,7,16H2,1-3H3/t22-/m0/s1
InChIKeyFBWFORUAVXGUOD-QFIPXVFZSA-N
XLogP4.38
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[6-[6-[(1S)-1-(dimethylamino)butyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-[(1S)-1-(dimethylamino)butyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol (CID 118663980) is [6-[6-[6-[(1S)-1-(dimethylamino)butyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-[(1S)-1-(dimethylamino)butyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-[(1S)-1-(dimethylamino)butyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol is CCC[C@@H](c1cccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1)N(C)C.
What is the InChIKey of [6-[6-[6-[(1S)-1-(dimethylamino)butyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is FBWFORUAVXGUOD-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H27N5O/c1-4-7-22(28(2)3)21-10-6-9-20(27-21)17-12-13-18-15-25-29(23(18)14-17)24-11-5-8-19(16-30)26-24/h5-6,8-15,22,30H,4,7,16H2,1-3H3/t22-/m0/s1.
What are the key properties of [6-[6-[6-[(1S)-1-(dimethylamino)butyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-[(1S)-1-(dimethylamino)butyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 401.51 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[6-[(1S)-1-(dimethylamino)butyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118663980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).