7'-amino-2'-methyl-2,4'-dioxospiro[1H-indole-3,5'-3H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile

C16H11N5O3 — CID 44612873

IUPAC7'-amino-2'-methyl-2,4'-dioxospiro[1H-indole-3,5'-3H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
SMILESCc1nc2c(c(=O)[nH]1)C1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C16H11N5O3/c1-7-19-13(22)11-14(20-7)24-12(18)9(6-17)16(11)8-4-2-3-5-10(8)21-15(16)23/h2-5H,18H2,1H3,(H,21,23)(H,19,20,22)
InChIKeyCNTPYRBNOMBXIJ-UHFFFAOYSA-N
MW321.30 g/mol
LogP0.40
Rot. Bonds

About 7'-amino-2'-methyl-2,4'-dioxospiro[1H-indole-3,5'-3H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile

7'-amino-2'-methyl-2,4'-dioxospiro[1H-indole-3,5'-3H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile (PubChem CID 44612873) has the molecular formula C16H11N5O3 and a molecular weight of 321.30 g/mol. Its IUPAC name is 7'-amino-2'-methyl-2,4'-dioxospiro[1H-indole-3,5'-3H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile.

Molecular Properties

Compound Name7'-amino-2'-methyl-2,4'-dioxospiro[1H-indole-3,5'-3H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
PubChem CID44612873
Molecular FormulaC16H11N5O3
Molecular Weight321.30 g/mol
Exact Mass321.09
IUPAC Name7'-amino-2'-methyl-2,4'-dioxospiro[1H-indole-3,5'-3H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
SMILESCc1nc2c(c(=O)[nH]1)C1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C16H11N5O3/c1-7-19-13(22)11-14(20-7)24-12(18)9(6-17)16(11)8-4-2-3-5-10(8)21-15(16)23/h2-5H,18H2,1H3,(H,21,23)(H,19,20,22)
InChIKeyCNTPYRBNOMBXIJ-UHFFFAOYSA-N
XLogP0.40
TPSA133.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7'-amino-2'-methyl-2,4'-dioxospiro[1H-indole-3,5'-3H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile?
The IUPAC name of 7'-amino-2'-methyl-2,4'-dioxospiro[1H-indole-3,5'-3H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile (CID 44612873) is 7'-amino-2'-methyl-2,4'-dioxospiro[1H-indole-3,5'-3H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile.
What is the SMILES notation for 7'-amino-2'-methyl-2,4'-dioxospiro[1H-indole-3,5'-3H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile?
The canonical SMILES for 7'-amino-2'-methyl-2,4'-dioxospiro[1H-indole-3,5'-3H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile is Cc1nc2c(c(=O)[nH]1)C1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2.
What is the InChIKey of 7'-amino-2'-methyl-2,4'-dioxospiro[1H-indole-3,5'-3H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile?
The InChIKey is CNTPYRBNOMBXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O3/c1-7-19-13(22)11-14(20-7)24-12(18)9(6-17)16(11)8-4-2-3-5-10(8)21-15(16)23/h2-5H,18H2,1H3,(H,21,23)(H,19,20,22).
What are the key properties of 7'-amino-2'-methyl-2,4'-dioxospiro[1H-indole-3,5'-3H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile?
7'-amino-2'-methyl-2,4'-dioxospiro[1H-indole-3,5'-3H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile has a molecular weight of 321.30 g/mol, XLogP of 0.40, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-amino-2'-methyl-2,4'-dioxospiro[1H-indole-3,5'-3H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile is sourced from PubChem (CID 44612873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).