(2S,4R)-4-amino-1-[(5-methoxy-2H-indazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide

C15H21N5O2 — CID 70765873

IUPAC(2S,4R)-4-amino-1-[(5-methoxy-2H-indazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1[nH]nc2ccc(OC)cc12
InChIInChI=1S/C15H21N5O2/c1-17-15(21)14-5-9(16)7-20(14)8-13-11-6-10(22-2)3-4-12(11)18-19-13/h3-4,6,9,14H,5,7-8,16H2,1-2H3,(H,17,21)(H,18,19)/t9-,14+/m1/s1
InChIKeyOQROUSNMPWVTPL-OTYXRUKQSA-N
MW303.37 g/mol
LogP0.22
Rot. Bonds4

About (2S,4R)-4-amino-1-[(5-methoxy-2H-indazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-[(5-methoxy-2H-indazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 70765873) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-[(5-methoxy-2H-indazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-[(5-methoxy-2H-indazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID70765873
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(2S,4R)-4-amino-1-[(5-methoxy-2H-indazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1[nH]nc2ccc(OC)cc12
InChIInChI=1S/C15H21N5O2/c1-17-15(21)14-5-9(16)7-20(14)8-13-11-6-10(22-2)3-4-12(11)18-19-13/h3-4,6,9,14H,5,7-8,16H2,1-2H3,(H,17,21)(H,18,19)/t9-,14+/m1/s1
InChIKeyOQROUSNMPWVTPL-OTYXRUKQSA-N
XLogP0.22
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-1-[(5-methoxy-2H-indazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-[(5-methoxy-2H-indazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide (CID 70765873) is (2S,4R)-4-amino-1-[(5-methoxy-2H-indazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-[(5-methoxy-2H-indazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-[(5-methoxy-2H-indazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](N)CN1Cc1[nH]nc2ccc(OC)cc12.
What is the InChIKey of (2S,4R)-4-amino-1-[(5-methoxy-2H-indazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is OQROUSNMPWVTPL-OTYXRUKQSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-17-15(21)14-5-9(16)7-20(14)8-13-11-6-10(22-2)3-4-12(11)18-19-13/h3-4,6,9,14H,5,7-8,16H2,1-2H3,(H,17,21)(H,18,19)/t9-,14+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-[(5-methoxy-2H-indazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-[(5-methoxy-2H-indazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-[(5-methoxy-2H-indazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 70765873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).