(1R)-1-[7-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylethanol

C23H21N7O — CID 118216783

IUPAC(1R)-1-[7-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylethanol
SMILESCn1nccc1Nc1cc(-c2ccn3c([C@H](O)Cc4ccccc4)nnc3c2)ccn1
InChIInChI=1S/C23H21N7O/c1-29-21(8-11-25-29)26-20-14-17(7-10-24-20)18-9-12-30-22(15-18)27-28-23(30)19(31)13-16-5-3-2-4-6-16/h2-12,14-15,19,31H,13H2,1H3,(H,24,26)/t19-/m1/s1
InChIKeyIYSVMODTMJUHPB-LJQANCHMSA-N
MW411.47 g/mol
LogP3.54
Rot. Bonds6

About (1R)-1-[7-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylethanol

(1R)-1-[7-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylethanol (PubChem CID 118216783) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is (1R)-1-[7-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylethanol.

Molecular Properties

Compound Name(1R)-1-[7-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylethanol
PubChem CID118216783
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name(1R)-1-[7-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylethanol
SMILESCn1nccc1Nc1cc(-c2ccn3c([C@H](O)Cc4ccccc4)nnc3c2)ccn1
InChIInChI=1S/C23H21N7O/c1-29-21(8-11-25-29)26-20-14-17(7-10-24-20)18-9-12-30-22(15-18)27-28-23(30)19(31)13-16-5-3-2-4-6-16/h2-12,14-15,19,31H,13H2,1H3,(H,24,26)/t19-/m1/s1
InChIKeyIYSVMODTMJUHPB-LJQANCHMSA-N
XLogP3.54
TPSA93.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[7-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylethanol?
The IUPAC name of (1R)-1-[7-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylethanol (CID 118216783) is (1R)-1-[7-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylethanol.
What is the SMILES notation for (1R)-1-[7-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylethanol?
The canonical SMILES for (1R)-1-[7-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylethanol is Cn1nccc1Nc1cc(-c2ccn3c([C@H](O)Cc4ccccc4)nnc3c2)ccn1.
What is the InChIKey of (1R)-1-[7-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylethanol?
The InChIKey is IYSVMODTMJUHPB-LJQANCHMSA-N. The full InChI is InChI=1S/C23H21N7O/c1-29-21(8-11-25-29)26-20-14-17(7-10-24-20)18-9-12-30-22(15-18)27-28-23(30)19(31)13-16-5-3-2-4-6-16/h2-12,14-15,19,31H,13H2,1H3,(H,24,26)/t19-/m1/s1.
What are the key properties of (1R)-1-[7-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylethanol?
(1R)-1-[7-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylethanol has a molecular weight of 411.47 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[7-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylethanol is sourced from PubChem (CID 118216783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).