2-(6-amino-5-cyano-3-pyridinyl)-N-(1-phenylcyclobutyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide

C26H27N7O2 — CID 164858707

IUPAC2-(6-amino-5-cyano-3-pyridinyl)-N-(1-phenylcyclobutyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
SMILESN#Cc1cc(-c2cc3n(n2)CCOC32CCN(C(=O)NC3(c4ccccc4)CCC3)C2)cnc1N
InChIInChI=1S/C26H27N7O2/c27-15-18-13-19(16-29-23(18)28)21-14-22-26(35-12-11-33(22)31-21)9-10-32(17-26)24(34)30-25(7-4-8-25)20-5-2-1-3-6-20/h1-3,5-6,13-14,16H,4,7-12,17H2,(H2,28,29)(H,30,34)
InChIKeyTWBKAAOITNRKCP-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.12
Rot. Bonds3

About 2-(6-amino-5-cyano-3-pyridinyl)-N-(1-phenylcyclobutyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide

2-(6-amino-5-cyano-3-pyridinyl)-N-(1-phenylcyclobutyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide (PubChem CID 164858707) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 2-(6-amino-5-cyano-3-pyridinyl)-N-(1-phenylcyclobutyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound Name2-(6-amino-5-cyano-3-pyridinyl)-N-(1-phenylcyclobutyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
PubChem CID164858707
Molecular FormulaC26H27N7O2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC Name2-(6-amino-5-cyano-3-pyridinyl)-N-(1-phenylcyclobutyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
SMILESN#Cc1cc(-c2cc3n(n2)CCOC32CCN(C(=O)NC3(c4ccccc4)CCC3)C2)cnc1N
InChIInChI=1S/C26H27N7O2/c27-15-18-13-19(16-29-23(18)28)21-14-22-26(35-12-11-33(22)31-21)9-10-32(17-26)24(34)30-25(7-4-8-25)20-5-2-1-3-6-20/h1-3,5-6,13-14,16H,4,7-12,17H2,(H2,28,29)(H,30,34)
InChIKeyTWBKAAOITNRKCP-UHFFFAOYSA-N
XLogP3.12
TPSA122.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-cyano-3-pyridinyl)-N-(1-phenylcyclobutyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of 2-(6-amino-5-cyano-3-pyridinyl)-N-(1-phenylcyclobutyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide (CID 164858707) is 2-(6-amino-5-cyano-3-pyridinyl)-N-(1-phenylcyclobutyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for 2-(6-amino-5-cyano-3-pyridinyl)-N-(1-phenylcyclobutyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for 2-(6-amino-5-cyano-3-pyridinyl)-N-(1-phenylcyclobutyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide is N#Cc1cc(-c2cc3n(n2)CCOC32CCN(C(=O)NC3(c4ccccc4)CCC3)C2)cnc1N.
What is the InChIKey of 2-(6-amino-5-cyano-3-pyridinyl)-N-(1-phenylcyclobutyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is TWBKAAOITNRKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2/c27-15-18-13-19(16-29-23(18)28)21-14-22-26(35-12-11-33(22)31-21)9-10-32(17-26)24(34)30-25(7-4-8-25)20-5-2-1-3-6-20/h1-3,5-6,13-14,16H,4,7-12,17H2,(H2,28,29)(H,30,34).
What are the key properties of 2-(6-amino-5-cyano-3-pyridinyl)-N-(1-phenylcyclobutyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide?
2-(6-amino-5-cyano-3-pyridinyl)-N-(1-phenylcyclobutyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-cyano-3-pyridinyl)-N-(1-phenylcyclobutyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 164858707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).