[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-pyridin-2-ylindazol-1-yl]-2-pyridinyl]methanol

C25H22N6O — CID 118664278

IUPAC[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-pyridin-2-ylindazol-1-yl]-2-pyridinyl]methanol
SMILESC[C@H](N)c1cccc(-c2cc(-c3ccccn3)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C25H22N6O/c1-16(26)21-8-5-9-22(30-21)17-12-19(23-7-2-3-11-27-23)20-14-28-31(24(20)13-17)25-10-4-6-18(15-32)29-25/h2-14,16,32H,15,26H2,1H3/t16-/m0/s1
InChIKeyFEPPKZWCQJEQIT-INIZCTEOSA-N
MW422.49 g/mol
LogP4.06
Rot. Bonds5

About [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-pyridin-2-ylindazol-1-yl]-2-pyridinyl]methanol

[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-pyridin-2-ylindazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118664278) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-pyridin-2-ylindazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-pyridin-2-ylindazol-1-yl]-2-pyridinyl]methanol
PubChem CID118664278
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC Name[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-pyridin-2-ylindazol-1-yl]-2-pyridinyl]methanol
SMILESC[C@H](N)c1cccc(-c2cc(-c3ccccn3)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C25H22N6O/c1-16(26)21-8-5-9-22(30-21)17-12-19(23-7-2-3-11-27-23)20-14-28-31(24(20)13-17)25-10-4-6-18(15-32)29-25/h2-14,16,32H,15,26H2,1H3/t16-/m0/s1
InChIKeyFEPPKZWCQJEQIT-INIZCTEOSA-N
XLogP4.06
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-pyridin-2-ylindazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-pyridin-2-ylindazol-1-yl]-2-pyridinyl]methanol (CID 118664278) is [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-pyridin-2-ylindazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-pyridin-2-ylindazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-pyridin-2-ylindazol-1-yl]-2-pyridinyl]methanol is C[C@H](N)c1cccc(-c2cc(-c3ccccn3)c3cnn(-c4cccc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-pyridin-2-ylindazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is FEPPKZWCQJEQIT-INIZCTEOSA-N. The full InChI is InChI=1S/C25H22N6O/c1-16(26)21-8-5-9-22(30-21)17-12-19(23-7-2-3-11-27-23)20-14-28-31(24(20)13-17)25-10-4-6-18(15-32)29-25/h2-14,16,32H,15,26H2,1H3/t16-/m0/s1.
What are the key properties of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-pyridin-2-ylindazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-pyridin-2-ylindazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 422.49 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-pyridin-2-ylindazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118664278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).