4-[(8S)-3-methyl-8-(3-phenylpropylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile

C24H26N4 — CID 142042013

IUPAC4-[(8S)-3-methyl-8-(3-phenylpropylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile
SMILESCc1ncc2n1C(c1ccc(C#N)cc1)CC[C@@H]2NCCCc1ccccc1
InChIInChI=1S/C24H26N4/c1-18-27-17-24-22(26-15-5-8-19-6-3-2-4-7-19)13-14-23(28(18)24)21-11-9-20(16-25)10-12-21/h2-4,6-7,9-12,17,22-23,26H,5,8,13-15H2,1H3/t22-,23?/m0/s1
InChIKeyHSTLEKHNSJOSPM-NQCNTLBGSA-N
MW370.50 g/mol
LogP4.71
Rot. Bonds6

About 4-[(8S)-3-methyl-8-(3-phenylpropylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile

4-[(8S)-3-methyl-8-(3-phenylpropylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile (PubChem CID 142042013) has the molecular formula C24H26N4 and a molecular weight of 370.50 g/mol. Its IUPAC name is 4-[(8S)-3-methyl-8-(3-phenylpropylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[(8S)-3-methyl-8-(3-phenylpropylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile
PubChem CID142042013
Molecular FormulaC24H26N4
Molecular Weight370.50 g/mol
Exact Mass370.22
IUPAC Name4-[(8S)-3-methyl-8-(3-phenylpropylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile
SMILESCc1ncc2n1C(c1ccc(C#N)cc1)CC[C@@H]2NCCCc1ccccc1
InChIInChI=1S/C24H26N4/c1-18-27-17-24-22(26-15-5-8-19-6-3-2-4-7-19)13-14-23(28(18)24)21-11-9-20(16-25)10-12-21/h2-4,6-7,9-12,17,22-23,26H,5,8,13-15H2,1H3/t22-,23?/m0/s1
InChIKeyHSTLEKHNSJOSPM-NQCNTLBGSA-N
XLogP4.71
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(8S)-3-methyl-8-(3-phenylpropylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile?
The IUPAC name of 4-[(8S)-3-methyl-8-(3-phenylpropylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile (CID 142042013) is 4-[(8S)-3-methyl-8-(3-phenylpropylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile.
What is the SMILES notation for 4-[(8S)-3-methyl-8-(3-phenylpropylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile?
The canonical SMILES for 4-[(8S)-3-methyl-8-(3-phenylpropylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile is Cc1ncc2n1C(c1ccc(C#N)cc1)CC[C@@H]2NCCCc1ccccc1.
What is the InChIKey of 4-[(8S)-3-methyl-8-(3-phenylpropylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile?
The InChIKey is HSTLEKHNSJOSPM-NQCNTLBGSA-N. The full InChI is InChI=1S/C24H26N4/c1-18-27-17-24-22(26-15-5-8-19-6-3-2-4-7-19)13-14-23(28(18)24)21-11-9-20(16-25)10-12-21/h2-4,6-7,9-12,17,22-23,26H,5,8,13-15H2,1H3/t22-,23?/m0/s1.
What are the key properties of 4-[(8S)-3-methyl-8-(3-phenylpropylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile?
4-[(8S)-3-methyl-8-(3-phenylpropylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile has a molecular weight of 370.50 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8S)-3-methyl-8-(3-phenylpropylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile is sourced from PubChem (CID 142042013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).