[4-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol

C22H23N5O — CID 118664690

IUPAC[4-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
SMILESCCC[C@H](N)c1cccc(-c2ccc3cnn(-c4ccnc(CO)c4)c3c2)n1
InChIInChI=1S/C22H23N5O/c1-2-4-19(23)21-6-3-5-20(26-21)15-7-8-16-13-25-27(22(16)11-15)18-9-10-24-17(12-18)14-28/h3,5-13,19,28H,2,4,14,23H2,1H3/t19-/m0/s1
InChIKeyHCSMGMCPEIXULM-IBGZPJMESA-N
MW373.46 g/mol
LogP3.77
Rot. Bonds6

About [4-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol

[4-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118664690) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is [4-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
PubChem CID118664690
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name[4-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
SMILESCCC[C@H](N)c1cccc(-c2ccc3cnn(-c4ccnc(CO)c4)c3c2)n1
InChIInChI=1S/C22H23N5O/c1-2-4-19(23)21-6-3-5-20(26-21)15-7-8-16-13-25-27(22(16)11-15)18-9-10-24-17(12-18)14-28/h3,5-13,19,28H,2,4,14,23H2,1H3/t19-/m0/s1
InChIKeyHCSMGMCPEIXULM-IBGZPJMESA-N
XLogP3.77
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol with MolForge

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Launch Full Analysis

Related Compounds

(1S)-1-[6-[1-[4-(difluoromethyl)pyrimidin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine
CID 118670727
(1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine
CID 118664339
(1R)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-amine
CID 130231679
[6-[6-[6-[(1S)-1-(dimethylamino)butyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
CID 118663980
[6-[6-[6-(1-aminobutyl)-2-pyridinyl]-4-(hydroxymethyl)indazol-1-yl]-2-pyridinyl]methanol
CID 118663570
[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol
CID 118664225
(3S)-3-amino-3-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propanenitrile
CID 130227548
(1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine
CID 118664726
[4-[6-[6-[(2S)-1-[(S)-tert-butylsulfinyl]pentan-2-yl]-2-pyridinyl]indazol-1-yl]pyrimidin-2-yl]methanol
CID 157457234
[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(3-methoxypropoxy)indazol-1-yl]-2-pyridinyl]methanol
CID 118663805
[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-[iodo(methyl)amino]indazol-1-yl]-2-pyridinyl]methanol
CID 145002472
[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-[(dimethylamino)methyl]indazol-1-yl]-2-pyridinyl]methanol
CID 118664042

Frequently Asked Questions

What is the IUPAC name of [4-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [4-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol (CID 118664690) is [4-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [4-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [4-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol is CCC[C@H](N)c1cccc(-c2ccc3cnn(-c4ccnc(CO)c4)c3c2)n1.
What is the InChIKey of [4-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is HCSMGMCPEIXULM-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N5O/c1-2-4-19(23)21-6-3-5-20(26-21)15-7-8-16-13-25-27(22(16)11-15)18-9-10-24-17(12-18)14-28/h3,5-13,19,28H,2,4,14,23H2,1H3/t19-/m0/s1.
What are the key properties of [4-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
[4-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 373.46 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118664690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).