N-[(1S,2S)-2-[(5-propan-2-ylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide

C21H25N7O — CID 118308074

IUPACN-[(1S,2S)-2-[(5-propan-2-ylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide
SMILESCC(C)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ccccc2-n2nccn2)cn1
InChIInChI=1S/C21H25N7O/c1-14(2)18-12-23-20(13-22-18)26-16-7-5-8-17(16)27-21(29)15-6-3-4-9-19(15)28-24-10-11-25-28/h3-4,6,9-14,16-17H,5,7-8H2,1-2H3,(H,23,26)(H,27,29)/t16-,17-/m0/s1
InChIKeyJMIWZAWCWVRGMD-IRXDYDNUSA-N
MW391.48 g/mol
LogP2.94
Rot. Bonds6

About N-[(1S,2S)-2-[(5-propan-2-ylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide

N-[(1S,2S)-2-[(5-propan-2-ylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide (PubChem CID 118308074) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[(1S,2S)-2-[(5-propan-2-ylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-[(5-propan-2-ylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide
PubChem CID118308074
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC NameN-[(1S,2S)-2-[(5-propan-2-ylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide
SMILESCC(C)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ccccc2-n2nccn2)cn1
InChIInChI=1S/C21H25N7O/c1-14(2)18-12-23-20(13-22-18)26-16-7-5-8-17(16)27-21(29)15-6-3-4-9-19(15)28-24-10-11-25-28/h3-4,6,9-14,16-17H,5,7-8H2,1-2H3,(H,23,26)(H,27,29)/t16-,17-/m0/s1
InChIKeyJMIWZAWCWVRGMD-IRXDYDNUSA-N
XLogP2.94
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[(5-propan-2-ylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[(1S,2S)-2-[(5-propan-2-ylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide (CID 118308074) is N-[(1S,2S)-2-[(5-propan-2-ylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[(1S,2S)-2-[(5-propan-2-ylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[(1S,2S)-2-[(5-propan-2-ylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide is CC(C)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ccccc2-n2nccn2)cn1.
What is the InChIKey of N-[(1S,2S)-2-[(5-propan-2-ylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide?
The InChIKey is JMIWZAWCWVRGMD-IRXDYDNUSA-N. The full InChI is InChI=1S/C21H25N7O/c1-14(2)18-12-23-20(13-22-18)26-16-7-5-8-17(16)27-21(29)15-6-3-4-9-19(15)28-24-10-11-25-28/h3-4,6,9-14,16-17H,5,7-8H2,1-2H3,(H,23,26)(H,27,29)/t16-,17-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[(5-propan-2-ylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide?
N-[(1S,2S)-2-[(5-propan-2-ylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide has a molecular weight of 391.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[(5-propan-2-ylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 118308074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).