(2S)-N-[4-[3-cyano-1-(2-methylpropyl)indazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide

C23H25N5O2 — CID 118735790

IUPAC(2S)-N-[4-[3-cyano-1-(2-methylpropyl)indazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
SMILESCC(C)Cn1nc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc21
InChIInChI=1S/C23H25N5O2/c1-15(2)14-28-22-10-9-18(12-19(22)21(13-24)27-28)30-17-7-5-16(6-8-17)26-23(29)20-4-3-11-25-20/h5-10,12,15,20,25H,3-4,11,14H2,1-2H3,(H,26,29)/t20-/m0/s1
InChIKeyJTNMHAMHIYAFAI-FQEVSTJZSA-N
MW403.49 g/mol
LogP4.05
Rot. Bonds6

About (2S)-N-[4-[3-cyano-1-(2-methylpropyl)indazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide

(2S)-N-[4-[3-cyano-1-(2-methylpropyl)indazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide (PubChem CID 118735790) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is (2S)-N-[4-[3-cyano-1-(2-methylpropyl)indazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-[3-cyano-1-(2-methylpropyl)indazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
PubChem CID118735790
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name(2S)-N-[4-[3-cyano-1-(2-methylpropyl)indazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
SMILESCC(C)Cn1nc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc21
InChIInChI=1S/C23H25N5O2/c1-15(2)14-28-22-10-9-18(12-19(22)21(13-24)27-28)30-17-7-5-16(6-8-17)26-23(29)20-4-3-11-25-20/h5-10,12,15,20,25H,3-4,11,14H2,1-2H3,(H,26,29)/t20-/m0/s1
InChIKeyJTNMHAMHIYAFAI-FQEVSTJZSA-N
XLogP4.05
TPSA91.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[3-cyano-1-(2-methylpropyl)indazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-[3-cyano-1-(2-methylpropyl)indazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide (CID 118735790) is (2S)-N-[4-[3-cyano-1-(2-methylpropyl)indazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-[3-cyano-1-(2-methylpropyl)indazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-[3-cyano-1-(2-methylpropyl)indazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide is CC(C)Cn1nc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc21.
What is the InChIKey of (2S)-N-[4-[3-cyano-1-(2-methylpropyl)indazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide?
The InChIKey is JTNMHAMHIYAFAI-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-15(2)14-28-22-10-9-18(12-19(22)21(13-24)27-28)30-17-7-5-16(6-8-17)26-23(29)20-4-3-11-25-20/h5-10,12,15,20,25H,3-4,11,14H2,1-2H3,(H,26,29)/t20-/m0/s1.
What are the key properties of (2S)-N-[4-[3-cyano-1-(2-methylpropyl)indazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide?
(2S)-N-[4-[3-cyano-1-(2-methylpropyl)indazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[3-cyano-1-(2-methylpropyl)indazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118735790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).