(4R)-6-amino-3-(methoxymethyl)-1'-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile

C17H15N5O3 — CID 943442

IUPAC(4R)-6-amino-3-(methoxymethyl)-1'-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
SMILESCOCc1[nH]nc2c1[C@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C17H15N5O3/c1-22-12-6-4-3-5-9(12)17(16(22)23)10(7-18)14(19)25-15-13(17)11(8-24-2)20-21-15/h3-6H,8,19H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyVHHLXVVCDJNDLE-QGZVFWFLSA-N
MW337.34 g/mol
LogP0.90
Rot. Bonds2

About (4R)-6-amino-3-(methoxymethyl)-1'-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile

(4R)-6-amino-3-(methoxymethyl)-1'-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile (PubChem CID 943442) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is (4R)-6-amino-3-(methoxymethyl)-1'-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile.

Molecular Properties

Compound Name(4R)-6-amino-3-(methoxymethyl)-1'-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
PubChem CID943442
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name(4R)-6-amino-3-(methoxymethyl)-1'-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
SMILESCOCc1[nH]nc2c1[C@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C17H15N5O3/c1-22-12-6-4-3-5-9(12)17(16(22)23)10(7-18)14(19)25-15-13(17)11(8-24-2)20-21-15/h3-6H,8,19H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyVHHLXVVCDJNDLE-QGZVFWFLSA-N
XLogP0.90
TPSA117.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-6-amino-1'-[(4-chlorophenyl)methyl]-3-(methoxymethyl)-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 40732117
6-amino-1'-methyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 3992081
methyl 6-amino-5-cyano-1'-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-3-carboxylate
CID 102498742
(4R)-6-amino-1'-ethyl-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 941592
(4S)-6-amino-2'-oxo-1'-propan-2-yl-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 1395708
6-amino-1'-benzyl-3-ethyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 2961924
(4S)-6-amino-3-ethyl-2'-oxo-1'-prop-2-enylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 845682
6-amino-1'-benzyl-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 3154828
(4S)-6-amino-1'-ethyl-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 942983
methyl 2-[(4S)-6-amino-1'-[(4-chlorophenyl)methyl]-5-cyano-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-3-yl]acetate
CID 1397928
6-amino-1'-[(4-methylphenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 3926707
2-amino-1',7-dimethyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile
CID 18886469

Frequently Asked Questions

What is the IUPAC name of (4R)-6-amino-3-(methoxymethyl)-1'-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The IUPAC name of (4R)-6-amino-3-(methoxymethyl)-1'-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile (CID 943442) is (4R)-6-amino-3-(methoxymethyl)-1'-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile.
What is the SMILES notation for (4R)-6-amino-3-(methoxymethyl)-1'-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The canonical SMILES for (4R)-6-amino-3-(methoxymethyl)-1'-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile is COCc1[nH]nc2c1[C@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2.
What is the InChIKey of (4R)-6-amino-3-(methoxymethyl)-1'-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The InChIKey is VHHLXVVCDJNDLE-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-22-12-6-4-3-5-9(12)17(16(22)23)10(7-18)14(19)25-15-13(17)11(8-24-2)20-21-15/h3-6H,8,19H2,1-2H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (4R)-6-amino-3-(methoxymethyl)-1'-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
(4R)-6-amino-3-(methoxymethyl)-1'-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile has a molecular weight of 337.34 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-amino-3-(methoxymethyl)-1'-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile is sourced from PubChem (CID 943442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).