N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-indazol-6-yl)acetamide

C16H17N3O3 — CID 99794548

IUPACN-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-indazol-6-yl)acetamide
SMILESC[C@@](O)(CNC(=O)Cc1ccc2cn[nH]c2c1)c1ccco1
InChIInChI=1S/C16H17N3O3/c1-16(21,14-3-2-6-22-14)10-17-15(20)8-11-4-5-12-9-18-19-13(12)7-11/h2-7,9,21H,8,10H2,1H3,(H,17,20)(H,18,19)/t16-/m1/s1
InChIKeyZAQNRDHDPWVXOC-MRXNPFEDSA-N
MW299.33 g/mol
LogP1.72
Rot. Bonds5

About N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-indazol-6-yl)acetamide

N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-indazol-6-yl)acetamide (PubChem CID 99794548) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-indazol-6-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-indazol-6-yl)acetamide
PubChem CID99794548
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-indazol-6-yl)acetamide
SMILESC[C@@](O)(CNC(=O)Cc1ccc2cn[nH]c2c1)c1ccco1
InChIInChI=1S/C16H17N3O3/c1-16(21,14-3-2-6-22-14)10-17-15(20)8-11-4-5-12-9-18-19-13(12)7-11/h2-7,9,21H,8,10H2,1H3,(H,17,20)(H,18,19)/t16-/m1/s1
InChIKeyZAQNRDHDPWVXOC-MRXNPFEDSA-N
XLogP1.72
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-indazol-6-yl)acetamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-indazol-6-yl)acetamide (CID 99794548) is N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-indazol-6-yl)acetamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-indazol-6-yl)acetamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-indazol-6-yl)acetamide is C[C@@](O)(CNC(=O)Cc1ccc2cn[nH]c2c1)c1ccco1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-indazol-6-yl)acetamide?
The InChIKey is ZAQNRDHDPWVXOC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-16(21,14-3-2-6-22-14)10-17-15(20)8-11-4-5-12-9-18-19-13(12)7-11/h2-7,9,21H,8,10H2,1H3,(H,17,20)(H,18,19)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-indazol-6-yl)acetamide?
N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-indazol-6-yl)acetamide has a molecular weight of 299.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-indazol-6-yl)acetamide is sourced from PubChem (CID 99794548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).