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

C22H23N5O — CID 118664118

IUPAC[6-[6-[4-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
SMILESCCC[C@H](N)c1ccnc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)c1
InChIInChI=1S/C22H23N5O/c1-2-4-19(23)15-9-10-24-20(11-15)16-7-8-17-13-25-27(21(17)12-16)22-6-3-5-18(14-28)26-22/h3,5-13,19,28H,2,4,14,23H2,1H3/t19-/m0/s1
InChIKeyVBAUDGBQLXDFPL-IBGZPJMESA-N
MW373.46 g/mol
LogP3.77
Rot. Bonds6

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

[6-[6-[4-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118664118) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is [6-[6-[4-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[4-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
PubChem CID118664118
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name[6-[6-[4-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
SMILESCCC[C@H](N)c1ccnc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)c1
InChIInChI=1S/C22H23N5O/c1-2-4-19(23)15-9-10-24-20(11-15)16-7-8-17-13-25-27(21(17)12-16)22-6-3-5-18(14-28)26-22/h3,5-13,19,28H,2,4,14,23H2,1H3/t19-/m0/s1
InChIKeyVBAUDGBQLXDFPL-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

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Frequently Asked Questions

What is the IUPAC name of [6-[6-[4-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[4-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol (CID 118664118) is [6-[6-[4-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[4-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[4-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol is CCC[C@H](N)c1ccnc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)c1.
What is the InChIKey of [6-[6-[4-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is VBAUDGBQLXDFPL-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N5O/c1-2-4-19(23)15-9-10-24-20(11-15)16-7-8-17-13-25-27(21(17)12-16)22-6-3-5-18(14-28)26-22/h3,5-13,19,28H,2,4,14,23H2,1H3/t19-/m0/s1.
What are the key properties of [6-[6-[4-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[4-[(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 [6-[6-[4-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118664118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).