4-(1-methyl-2-sulfanylpyrrolo[2,3-c]pyridin-3-yl)naphthalene-1-carbonitrile

C19H13N3S — CID 175119270

IUPAC4-(1-methyl-2-sulfanylpyrrolo[2,3-c]pyridin-3-yl)naphthalene-1-carbonitrile
SMILESCn1c(S)c(-c2ccc(C#N)c3ccccc23)c2ccncc21
InChIInChI=1S/C19H13N3S/c1-22-17-11-21-9-8-16(17)18(19(22)23)15-7-6-12(10-20)13-4-2-3-5-14(13)15/h2-9,11,23H,1H3
InChIKeyKPSLCRVTWPOEDO-UHFFFAOYSA-N
MW315.40 g/mol
LogP4.55
Rot. Bonds1

About 4-(1-methyl-2-sulfanylpyrrolo[2,3-c]pyridin-3-yl)naphthalene-1-carbonitrile

4-(1-methyl-2-sulfanylpyrrolo[2,3-c]pyridin-3-yl)naphthalene-1-carbonitrile (PubChem CID 175119270) has the molecular formula C19H13N3S and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-(1-methyl-2-sulfanylpyrrolo[2,3-c]pyridin-3-yl)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-(1-methyl-2-sulfanylpyrrolo[2,3-c]pyridin-3-yl)naphthalene-1-carbonitrile
PubChem CID175119270
Molecular FormulaC19H13N3S
Molecular Weight315.40 g/mol
Exact Mass315.08
IUPAC Name4-(1-methyl-2-sulfanylpyrrolo[2,3-c]pyridin-3-yl)naphthalene-1-carbonitrile
SMILESCn1c(S)c(-c2ccc(C#N)c3ccccc23)c2ccncc21
InChIInChI=1S/C19H13N3S/c1-22-17-11-21-9-8-16(17)18(19(22)23)15-7-6-12(10-20)13-4-2-3-5-14(13)15/h2-9,11,23H,1H3
InChIKeyKPSLCRVTWPOEDO-UHFFFAOYSA-N
XLogP4.55
TPSA41.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-(1-methyl-2-sulfanylpyrrolo[2,3-c]pyridin-3-yl)naphthalene-1-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 4-(1-methyl-2-sulfanylpyrrolo[2,3-c]pyridin-3-yl)naphthalene-1-carbonitrile?
The IUPAC name of 4-(1-methyl-2-sulfanylpyrrolo[2,3-c]pyridin-3-yl)naphthalene-1-carbonitrile (CID 175119270) is 4-(1-methyl-2-sulfanylpyrrolo[2,3-c]pyridin-3-yl)naphthalene-1-carbonitrile.
What is the SMILES notation for 4-(1-methyl-2-sulfanylpyrrolo[2,3-c]pyridin-3-yl)naphthalene-1-carbonitrile?
The canonical SMILES for 4-(1-methyl-2-sulfanylpyrrolo[2,3-c]pyridin-3-yl)naphthalene-1-carbonitrile is Cn1c(S)c(-c2ccc(C#N)c3ccccc23)c2ccncc21.
What is the InChIKey of 4-(1-methyl-2-sulfanylpyrrolo[2,3-c]pyridin-3-yl)naphthalene-1-carbonitrile?
The InChIKey is KPSLCRVTWPOEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3S/c1-22-17-11-21-9-8-16(17)18(19(22)23)15-7-6-12(10-20)13-4-2-3-5-14(13)15/h2-9,11,23H,1H3.
What are the key properties of 4-(1-methyl-2-sulfanylpyrrolo[2,3-c]pyridin-3-yl)naphthalene-1-carbonitrile?
4-(1-methyl-2-sulfanylpyrrolo[2,3-c]pyridin-3-yl)naphthalene-1-carbonitrile has a molecular weight of 315.40 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2-sulfanylpyrrolo[2,3-c]pyridin-3-yl)naphthalene-1-carbonitrile is sourced from PubChem (CID 175119270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).