[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-(1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol

C23H20N6O2 — CID 118664158

IUPAC[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-(1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol
SMILESC[C@H](N)c1cccc(-c2cc(-c3ncco3)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C23H20N6O2/c1-14(24)19-5-3-6-20(28-19)15-10-17(23-25-8-9-31-23)18-12-26-29(21(18)11-15)22-7-2-4-16(13-30)27-22/h2-12,14,30H,13,24H2,1H3/t14-/m0/s1
InChIKeyUPQKMSQSMLZMFJ-AWEZNQCLSA-N
MW412.45 g/mol
LogP3.65
Rot. Bonds5

About [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-(1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol

[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-(1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118664158) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-(1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-(1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol
PubChem CID118664158
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-(1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol
SMILESC[C@H](N)c1cccc(-c2cc(-c3ncco3)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C23H20N6O2/c1-14(24)19-5-3-6-20(28-19)15-10-17(23-25-8-9-31-23)18-12-26-29(21(18)11-15)22-7-2-4-16(13-30)27-22/h2-12,14,30H,13,24H2,1H3/t14-/m0/s1
InChIKeyUPQKMSQSMLZMFJ-AWEZNQCLSA-N
XLogP3.65
TPSA115.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-(1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-(1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol (CID 118664158) is [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-(1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-(1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-(1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol is C[C@H](N)c1cccc(-c2cc(-c3ncco3)c3cnn(-c4cccc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-(1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is UPQKMSQSMLZMFJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-14(24)19-5-3-6-20(28-19)15-10-17(23-25-8-9-31-23)18-12-26-29(21(18)11-15)22-7-2-4-16(13-30)27-22/h2-12,14,30H,13,24H2,1H3/t14-/m0/s1.
What are the key properties of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-(1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-(1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 412.45 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-(1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118664158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).