N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-5-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C23H21N5O4 — CID 151887078

About N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-5-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-5-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 151887078) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-5-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-5-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
• PubChem CID: 151887078
• Molecular Formula: C23H21N5O4
• Molecular Weight: 431.45 g/mol
• Exact Mass: 431.16
• IUPAC Name: N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-5-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
• SMILES: COc1cc(C2CCn3nc(C(=O)N[C@H]4COc5ccc(C#N)cc5C4)cc3O2)ccn1
• InChI: InChI=1S/C23H21N5O4/c1-30-21-10-15(4-6-25-21)20-5-7-28-22(32-20)11-18(27-28)23(29)26-17-9-16-8-14(12-24)2-3-19(16)31-13-17/h2-4,6,8,10-11,17,20H,5,7,9,13H2,1H3,(H,26,29)/t17-,20?/m1/s1
• InChIKey: SPYCGTGJIHZWKC-DIAVIDTQSA-N
• XLogP: 2.42
• TPSA: 111.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.45
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-5-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?

The IUPAC name of N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-5-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 151887078) is N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-5-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

What is the SMILES notation for N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-5-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?

The canonical SMILES for N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-5-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is COc1cc(C2CCn3nc(C(=O)N[C@H]4COc5ccc(C#N)cc5C4)cc3O2)ccn1.

What is the InChIKey of N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-5-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?

The InChIKey is SPYCGTGJIHZWKC-DIAVIDTQSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-30-21-10-15(4-6-25-21)20-5-7-28-22(32-20)11-18(27-28)23(29)26-17-9-16-8-14(12-24)2-3-19(16)31-13-17/h2-4,6,8,10-11,17,20H,5,7,9,13H2,1H3,(H,26,29)/t17-,20?/m1/s1.

What are the key properties of N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-5-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?

N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-5-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 431.45 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-5-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 151887078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).