N-[(4'R)-2''-amino-2',2'-dimethyldispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-6'-yl]-5-(difluoromethyl)pyrazine-2-carboxamide

C21H21F2N5O3 — CID 86724318

IUPAC—
SMILESCC1(C)Oc2ccc(NC(=O)c3cnc(C(F)F)cn3)cc2[C@@]2(COC(N)=N2)C12CC2
InChIInChI=1S/C21H21F2N5O3/c1-19(2)20(5-6-20)21(10-30-18(24)28-21)12-7-11(3-4-15(12)31-19)27-17(29)14-9-25-13(8-26-14)16(22)23/h3-4,7-9,16H,5-6,10H2,1-2H3,(H2,24,28)(H,27,29)/t21-/m0/s1
InChIKeyUUOAKQJQRFDOFS-NRFANRHFSA-N
MW429.43 g/mol
LogP3.16
Rot. Bonds3

About N-[(4'R)-2''-amino-2',2'-dimethyldispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-6'-yl]-5-(difluoromethyl)pyrazine-2-carboxamide

N-[(4'R)-2''-amino-2',2'-dimethyldispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-6'-yl]-5-(difluoromethyl)pyrazine-2-carboxamide (PubChem CID 86724318) has the molecular formula C21H21F2N5O3 and a molecular weight of 429.43 g/mol.

Molecular Properties

Compound NameN-[(4'R)-2''-amino-2',2'-dimethyldispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-6'-yl]-5-(difluoromethyl)pyrazine-2-carboxamide
PubChem CID86724318
Molecular FormulaC21H21F2N5O3
Molecular Weight429.43 g/mol
Exact Mass429.16
IUPAC Name—
SMILESCC1(C)Oc2ccc(NC(=O)c3cnc(C(F)F)cn3)cc2[C@@]2(COC(N)=N2)C12CC2
InChIInChI=1S/C21H21F2N5O3/c1-19(2)20(5-6-20)21(10-30-18(24)28-21)12-7-11(3-4-15(12)31-19)27-17(29)14-9-25-13(8-26-14)16(22)23/h3-4,7-9,16H,5-6,10H2,1-2H3,(H2,24,28)(H,27,29)/t21-/m0/s1
InChIKeyUUOAKQJQRFDOFS-NRFANRHFSA-N
XLogP3.16
TPSA111.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(4'R)-2''-amino-2',2'-dimethyldispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-6'-yl]-5-(difluoromethyl)pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide
CID 78105231
CID 90056497
CID 90056497
CID 90056502
CID 90056502
N-(4'-Amino-5'-methylspiro[chroman-4,2'-imidazole]-6-yl)-5-(but-2-ynyloxy)pyrazine-2-carboxamide
CID 57384873
N-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide
CID 71542873
CID 72548695
CID 72548695
CID 72548945
CID 72548945
N-[(4S)-2-amino-2',2'-dimethyldispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-6'-yl]-5-methoxypyrazine-2-carboxamide
CID 72548948
US9580396, Example 2m
CID 76287481
N-[2-amino-3'-(3,3-dimethylbut-1-ynyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide
CID 78104710
N-(2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl)-5-methoxypyrazine-2-carboxamide
CID 78104892
N-[2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide
CID 78105118

Frequently Asked Questions

What is the IUPAC name of N-[(4'R)-2''-amino-2',2'-dimethyldispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-6'-yl]-5-(difluoromethyl)pyrazine-2-carboxamide?
The IUPAC name of N-[(4'R)-2''-amino-2',2'-dimethyldispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-6'-yl]-5-(difluoromethyl)pyrazine-2-carboxamide (CID 86724318) is not available.
What is the SMILES notation for N-[(4'R)-2''-amino-2',2'-dimethyldispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-6'-yl]-5-(difluoromethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(4'R)-2''-amino-2',2'-dimethyldispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-6'-yl]-5-(difluoromethyl)pyrazine-2-carboxamide is CC1(C)Oc2ccc(NC(=O)c3cnc(C(F)F)cn3)cc2[C@@]2(COC(N)=N2)C12CC2.
What is the InChIKey of N-[(4'R)-2''-amino-2',2'-dimethyldispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-6'-yl]-5-(difluoromethyl)pyrazine-2-carboxamide?
The InChIKey is UUOAKQJQRFDOFS-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21F2N5O3/c1-19(2)20(5-6-20)21(10-30-18(24)28-21)12-7-11(3-4-15(12)31-19)27-17(29)14-9-25-13(8-26-14)16(22)23/h3-4,7-9,16H,5-6,10H2,1-2H3,(H2,24,28)(H,27,29)/t21-/m0/s1.
What are the key properties of N-[(4'R)-2''-amino-2',2'-dimethyldispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-6'-yl]-5-(difluoromethyl)pyrazine-2-carboxamide?
N-[(4'R)-2''-amino-2',2'-dimethyldispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-6'-yl]-5-(difluoromethyl)pyrazine-2-carboxamide has a molecular weight of 429.43 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4'R)-2''-amino-2',2'-dimethyldispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-6'-yl]-5-(difluoromethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 86724318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).