2-[(7S)-7-[(3-propan-2-yloxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide

C19H26N4O2 — CID 97346730

IUPAC2-[(7S)-7-[(3-propan-2-yloxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide
SMILESCC(C)Oc1cccc(CN[C@H]2CCCc3cn(CC(N)=O)nc32)c1
InChIInChI=1S/C19H26N4O2/c1-13(2)25-16-7-3-5-14(9-16)10-21-17-8-4-6-15-11-23(12-18(20)24)22-19(15)17/h3,5,7,9,11,13,17,21H,4,6,8,10,12H2,1-2H3,(H2,20,24)/t17-/m0/s1
InChIKeyOCLDXIVBIYJRNX-KRWDZBQOSA-N
MW342.44 g/mol
LogP2.32
Rot. Bonds7

About 2-[(7S)-7-[(3-propan-2-yloxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide

2-[(7S)-7-[(3-propan-2-yloxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide (PubChem CID 97346730) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[(7S)-7-[(3-propan-2-yloxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(7S)-7-[(3-propan-2-yloxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide
PubChem CID97346730
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[(7S)-7-[(3-propan-2-yloxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide
SMILESCC(C)Oc1cccc(CN[C@H]2CCCc3cn(CC(N)=O)nc32)c1
InChIInChI=1S/C19H26N4O2/c1-13(2)25-16-7-3-5-14(9-16)10-21-17-8-4-6-15-11-23(12-18(20)24)22-19(15)17/h3,5,7,9,11,13,17,21H,4,6,8,10,12H2,1-2H3,(H2,20,24)/t17-/m0/s1
InChIKeyOCLDXIVBIYJRNX-KRWDZBQOSA-N
XLogP2.32
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(7S)-7-[(3-propan-2-yloxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide?
The IUPAC name of 2-[(7S)-7-[(3-propan-2-yloxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide (CID 97346730) is 2-[(7S)-7-[(3-propan-2-yloxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide.
What is the SMILES notation for 2-[(7S)-7-[(3-propan-2-yloxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide?
The canonical SMILES for 2-[(7S)-7-[(3-propan-2-yloxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide is CC(C)Oc1cccc(CN[C@H]2CCCc3cn(CC(N)=O)nc32)c1.
What is the InChIKey of 2-[(7S)-7-[(3-propan-2-yloxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide?
The InChIKey is OCLDXIVBIYJRNX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(2)25-16-7-3-5-14(9-16)10-21-17-8-4-6-15-11-23(12-18(20)24)22-19(15)17/h3,5,7,9,11,13,17,21H,4,6,8,10,12H2,1-2H3,(H2,20,24)/t17-/m0/s1.
What are the key properties of 2-[(7S)-7-[(3-propan-2-yloxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide?
2-[(7S)-7-[(3-propan-2-yloxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7S)-7-[(3-propan-2-yloxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide is sourced from PubChem (CID 97346730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).