(4R)-2'-amino-6'-bromo-1',3-dimethyl-5-oxospiro[2H-furo[2,3-c]pyrazole-4,4'-quinoline]-3'-carbonitrile

C16H12BrN5O2 — CID 28866936

IUPAC(4R)-2'-amino-6'-bromo-1',3-dimethyl-5-oxospiro[2H-furo[2,3-c]pyrazole-4,4'-quinoline]-3'-carbonitrile
SMILESCc1[nH]nc2c1[C@]1(C(=O)O2)C(C#N)=C(N)N(C)c2ccc(Br)cc21
InChIInChI=1S/C16H12BrN5O2/c1-7-12-14(21-20-7)24-15(23)16(12)9-5-8(17)3-4-11(9)22(2)13(19)10(16)6-18/h3-5H,19H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyIUOMNMXNVCYOIP-MRXNPFEDSA-N
MW386.21 g/mol
LogP1.83
Rot. Bonds

About (4R)-2'-amino-6'-bromo-1',3-dimethyl-5-oxospiro[2H-furo[2,3-c]pyrazole-4,4'-quinoline]-3'-carbonitrile

(4R)-2'-amino-6'-bromo-1',3-dimethyl-5-oxospiro[2H-furo[2,3-c]pyrazole-4,4'-quinoline]-3'-carbonitrile (PubChem CID 28866936) has the molecular formula C16H12BrN5O2 and a molecular weight of 386.21 g/mol. Its IUPAC name is (4R)-2'-amino-6'-bromo-1',3-dimethyl-5-oxospiro[2H-furo[2,3-c]pyrazole-4,4'-quinoline]-3'-carbonitrile.

Molecular Properties

Compound Name(4R)-2'-amino-6'-bromo-1',3-dimethyl-5-oxospiro[2H-furo[2,3-c]pyrazole-4,4'-quinoline]-3'-carbonitrile
PubChem CID28866936
Molecular FormulaC16H12BrN5O2
Molecular Weight386.21 g/mol
Exact Mass385.02
IUPAC Name(4R)-2'-amino-6'-bromo-1',3-dimethyl-5-oxospiro[2H-furo[2,3-c]pyrazole-4,4'-quinoline]-3'-carbonitrile
SMILESCc1[nH]nc2c1[C@]1(C(=O)O2)C(C#N)=C(N)N(C)c2ccc(Br)cc21
InChIInChI=1S/C16H12BrN5O2/c1-7-12-14(21-20-7)24-15(23)16(12)9-5-8(17)3-4-11(9)22(2)13(19)10(16)6-18/h3-5H,19H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyIUOMNMXNVCYOIP-MRXNPFEDSA-N
XLogP1.83
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.21
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R)-2'-amino-6'-bromo-1',3-dimethyl-5-oxospiro[2H-furo[2,3-c]pyrazole-4,4'-quinoline]-3'-carbonitrile with MolForge

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Related Compounds

(3R)-6'-amino-5-bromo-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 1035480
6'-amino-6-bromo-3',5-dimethyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 4266586
6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile
CID 12924203
(4S)-6-amino-1'-ethyl-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 942983
6-amino-4-(3-bromophenyl)-4-ethyl-3-methyl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 72549697
6-amino-1',3-dimethyl-2'-oxo-5'-(trifluoromethoxy)spiro[2,7-dihydropyrazolo[3,4-b]pyridine-4,3'-indole]-5-carbonitrile
CID 162669124
methyl 6'-amino-5-bromo-5'-cyano-1,2'-dimethyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
CID 4887303
6-amino-3-methyl-1'-[(3-methylphenyl)methyl]-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 23475422
6-amino-1'-benzoyl-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 6737950
2-(6-amino-5-cyano-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl)acetamide
CID 3764269
6-amino-1'-methyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 3992081
(4R)-6-amino-3-(methoxymethyl)-1'-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 943442

Frequently Asked Questions

What is the IUPAC name of (4R)-2'-amino-6'-bromo-1',3-dimethyl-5-oxospiro[2H-furo[2,3-c]pyrazole-4,4'-quinoline]-3'-carbonitrile?
The IUPAC name of (4R)-2'-amino-6'-bromo-1',3-dimethyl-5-oxospiro[2H-furo[2,3-c]pyrazole-4,4'-quinoline]-3'-carbonitrile (CID 28866936) is (4R)-2'-amino-6'-bromo-1',3-dimethyl-5-oxospiro[2H-furo[2,3-c]pyrazole-4,4'-quinoline]-3'-carbonitrile.
What is the SMILES notation for (4R)-2'-amino-6'-bromo-1',3-dimethyl-5-oxospiro[2H-furo[2,3-c]pyrazole-4,4'-quinoline]-3'-carbonitrile?
The canonical SMILES for (4R)-2'-amino-6'-bromo-1',3-dimethyl-5-oxospiro[2H-furo[2,3-c]pyrazole-4,4'-quinoline]-3'-carbonitrile is Cc1[nH]nc2c1[C@]1(C(=O)O2)C(C#N)=C(N)N(C)c2ccc(Br)cc21.
What is the InChIKey of (4R)-2'-amino-6'-bromo-1',3-dimethyl-5-oxospiro[2H-furo[2,3-c]pyrazole-4,4'-quinoline]-3'-carbonitrile?
The InChIKey is IUOMNMXNVCYOIP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H12BrN5O2/c1-7-12-14(21-20-7)24-15(23)16(12)9-5-8(17)3-4-11(9)22(2)13(19)10(16)6-18/h3-5H,19H2,1-2H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (4R)-2'-amino-6'-bromo-1',3-dimethyl-5-oxospiro[2H-furo[2,3-c]pyrazole-4,4'-quinoline]-3'-carbonitrile?
(4R)-2'-amino-6'-bromo-1',3-dimethyl-5-oxospiro[2H-furo[2,3-c]pyrazole-4,4'-quinoline]-3'-carbonitrile has a molecular weight of 386.21 g/mol, XLogP of 1.83, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2'-amino-6'-bromo-1',3-dimethyl-5-oxospiro[2H-furo[2,3-c]pyrazole-4,4'-quinoline]-3'-carbonitrile is sourced from PubChem (CID 28866936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).