acetonitrile;4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-carbonitrile

C23H26N6O — CID 163374829

IUPACacetonitrile;4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-carbonitrile
SMILESCC#N.N#Cc1nc2c(c(N3CCNCC3)n1)CCC1(CCCc3ccccc31)O2
InChIInChI=1S/C21H23N5O.C2H3N/c22-14-18-24-19(26-12-10-23-11-13-26)16-7-9-21(27-20(16)25-18)8-3-5-15-4-1-2-6-17(15)21;1-2-3/h1-2,4,6,23H,3,5,7-13H2;1H3
InChIKeyGDRYRAZVOOCOHP-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.84
Rot. Bonds1

About acetonitrile;4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-carbonitrile

acetonitrile;4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-carbonitrile (PubChem CID 163374829) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is acetonitrile;4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-carbonitrile.

Molecular Properties

Compound Nameacetonitrile;4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-carbonitrile
PubChem CID163374829
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Nameacetonitrile;4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-carbonitrile
SMILESCC#N.N#Cc1nc2c(c(N3CCNCC3)n1)CCC1(CCCc3ccccc31)O2
InChIInChI=1S/C21H23N5O.C2H3N/c22-14-18-24-19(26-12-10-23-11-13-26)16-7-9-21(27-20(16)25-18)8-3-5-15-4-1-2-6-17(15)21;1-2-3/h1-2,4,6,23H,3,5,7-13H2;1H3
InChIKeyGDRYRAZVOOCOHP-UHFFFAOYSA-N
XLogP2.84
TPSA97.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze acetonitrile;4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetonitrile;4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-carbonitrile?
The IUPAC name of acetonitrile;4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-carbonitrile (CID 163374829) is acetonitrile;4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-carbonitrile.
What is the SMILES notation for acetonitrile;4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-carbonitrile?
The canonical SMILES for acetonitrile;4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-carbonitrile is CC#N.N#Cc1nc2c(c(N3CCNCC3)n1)CCC1(CCCc3ccccc31)O2.
What is the InChIKey of acetonitrile;4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-carbonitrile?
The InChIKey is GDRYRAZVOOCOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O.C2H3N/c22-14-18-24-19(26-12-10-23-11-13-26)16-7-9-21(27-20(16)25-18)8-3-5-15-4-1-2-6-17(15)21;1-2-3/h1-2,4,6,23H,3,5,7-13H2;1H3.
What are the key properties of acetonitrile;4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-carbonitrile?
acetonitrile;4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-carbonitrile has a molecular weight of 402.50 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-carbonitrile is sourced from PubChem (CID 163374829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).