4-(8-methyl-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydro-1-benzofuran-7-carbonitrile

C22H25N5O — CID 175198311

IUPAC4-(8-methyl-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydro-1-benzofuran-7-carbonitrile
SMILESCC1CN(c2ccc(C#N)c3c2CCO3)Cc2ccc(N3CCNCC3)nc21
InChIInChI=1S/C22H25N5O/c1-15-13-27(19-4-2-16(12-23)22-18(19)6-11-28-22)14-17-3-5-20(25-21(15)17)26-9-7-24-8-10-26/h2-5,15,24H,6-11,13-14H2,1H3
InChIKeyLKSLQHYVBKJRRV-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.42
Rot. Bonds2

About 4-(8-methyl-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydro-1-benzofuran-7-carbonitrile

4-(8-methyl-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydro-1-benzofuran-7-carbonitrile (PubChem CID 175198311) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-(8-methyl-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydro-1-benzofuran-7-carbonitrile.

Molecular Properties

Compound Name4-(8-methyl-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydro-1-benzofuran-7-carbonitrile
PubChem CID175198311
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name4-(8-methyl-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydro-1-benzofuran-7-carbonitrile
SMILESCC1CN(c2ccc(C#N)c3c2CCO3)Cc2ccc(N3CCNCC3)nc21
InChIInChI=1S/C22H25N5O/c1-15-13-27(19-4-2-16(12-23)22-18(19)6-11-28-22)14-17-3-5-20(25-21(15)17)26-9-7-24-8-10-26/h2-5,15,24H,6-11,13-14H2,1H3
InChIKeyLKSLQHYVBKJRRV-UHFFFAOYSA-N
XLogP2.42
TPSA64.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(8-methyl-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydro-1-benzofuran-7-carbonitrile?
The IUPAC name of 4-(8-methyl-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydro-1-benzofuran-7-carbonitrile (CID 175198311) is 4-(8-methyl-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydro-1-benzofuran-7-carbonitrile.
What is the SMILES notation for 4-(8-methyl-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydro-1-benzofuran-7-carbonitrile?
The canonical SMILES for 4-(8-methyl-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydro-1-benzofuran-7-carbonitrile is CC1CN(c2ccc(C#N)c3c2CCO3)Cc2ccc(N3CCNCC3)nc21.
What is the InChIKey of 4-(8-methyl-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydro-1-benzofuran-7-carbonitrile?
The InChIKey is LKSLQHYVBKJRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-15-13-27(19-4-2-16(12-23)22-18(19)6-11-28-22)14-17-3-5-20(25-21(15)17)26-9-7-24-8-10-26/h2-5,15,24H,6-11,13-14H2,1H3.
What are the key properties of 4-(8-methyl-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydro-1-benzofuran-7-carbonitrile?
4-(8-methyl-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydro-1-benzofuran-7-carbonitrile has a molecular weight of 375.48 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methyl-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydro-1-benzofuran-7-carbonitrile is sourced from PubChem (CID 175198311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).