2-amino-N-[(2S)-butan-2-yl]-6-[1-(2-methoxy-1-phenylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

C23H27N7O2 — CID 155232171

IUPAC2-amino-N-[(2S)-butan-2-yl]-6-[1-(2-methoxy-1-phenylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCC[C@H](C)NC(=O)c1cc(-c2cnn(C(COC)c3ccccc3)c2)cn2nc(N)nc12
InChIInChI=1S/C23H27N7O2/c1-4-15(2)26-22(31)19-10-17(12-30-21(19)27-23(24)28-30)18-11-25-29(13-18)20(14-32-3)16-8-6-5-7-9-16/h5-13,15,20H,4,14H2,1-3H3,(H2,24,28)(H,26,31)/t15-,20?/m0/s1
InChIKeySMPPWIYVGWXUNX-OOJLDXBWSA-N
MW433.52 g/mol
LogP2.94
Rot. Bonds8

About 2-amino-N-[(2S)-butan-2-yl]-6-[1-(2-methoxy-1-phenylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

2-amino-N-[(2S)-butan-2-yl]-6-[1-(2-methoxy-1-phenylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 155232171) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 2-amino-N-[(2S)-butan-2-yl]-6-[1-(2-methoxy-1-phenylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2S)-butan-2-yl]-6-[1-(2-methoxy-1-phenylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID155232171
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name2-amino-N-[(2S)-butan-2-yl]-6-[1-(2-methoxy-1-phenylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCC[C@H](C)NC(=O)c1cc(-c2cnn(C(COC)c3ccccc3)c2)cn2nc(N)nc12
InChIInChI=1S/C23H27N7O2/c1-4-15(2)26-22(31)19-10-17(12-30-21(19)27-23(24)28-30)18-11-25-29(13-18)20(14-32-3)16-8-6-5-7-9-16/h5-13,15,20H,4,14H2,1-3H3,(H2,24,28)(H,26,31)/t15-,20?/m0/s1
InChIKeySMPPWIYVGWXUNX-OOJLDXBWSA-N
XLogP2.94
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S)-butan-2-yl]-6-[1-(2-methoxy-1-phenylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 2-amino-N-[(2S)-butan-2-yl]-6-[1-(2-methoxy-1-phenylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 155232171) is 2-amino-N-[(2S)-butan-2-yl]-6-[1-(2-methoxy-1-phenylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for 2-amino-N-[(2S)-butan-2-yl]-6-[1-(2-methoxy-1-phenylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 2-amino-N-[(2S)-butan-2-yl]-6-[1-(2-methoxy-1-phenylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is CC[C@H](C)NC(=O)c1cc(-c2cnn(C(COC)c3ccccc3)c2)cn2nc(N)nc12.
What is the InChIKey of 2-amino-N-[(2S)-butan-2-yl]-6-[1-(2-methoxy-1-phenylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is SMPPWIYVGWXUNX-OOJLDXBWSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-4-15(2)26-22(31)19-10-17(12-30-21(19)27-23(24)28-30)18-11-25-29(13-18)20(14-32-3)16-8-6-5-7-9-16/h5-13,15,20H,4,14H2,1-3H3,(H2,24,28)(H,26,31)/t15-,20?/m0/s1.
What are the key properties of 2-amino-N-[(2S)-butan-2-yl]-6-[1-(2-methoxy-1-phenylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
2-amino-N-[(2S)-butan-2-yl]-6-[1-(2-methoxy-1-phenylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S)-butan-2-yl]-6-[1-(2-methoxy-1-phenylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 155232171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).