1,5-dimethyl-4-[[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]methyl]pyrrole-2-carbonitrile

C16H21N5 — CID 97002158

IUPAC1,5-dimethyl-4-[[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]methyl]pyrrole-2-carbonitrile
SMILESCc1c(CNC[C@@H]2CCCn3ccnc32)cc(C#N)n1C
InChIInChI=1S/C16H21N5/c1-12-14(8-15(9-17)20(12)2)11-18-10-13-4-3-6-21-7-5-19-16(13)21/h5,7-8,13,18H,3-4,6,10-11H2,1-2H3/t13-/m0/s1
InChIKeyGZAKYCUWFPMYKS-ZDUSSCGKSA-N
MW283.38 g/mol
LogP2.07
Rot. Bonds4

About 1,5-dimethyl-4-[[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]methyl]pyrrole-2-carbonitrile

1,5-dimethyl-4-[[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]methyl]pyrrole-2-carbonitrile (PubChem CID 97002158) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1,5-dimethyl-4-[[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1,5-dimethyl-4-[[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]methyl]pyrrole-2-carbonitrile
PubChem CID97002158
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name1,5-dimethyl-4-[[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]methyl]pyrrole-2-carbonitrile
SMILESCc1c(CNC[C@@H]2CCCn3ccnc32)cc(C#N)n1C
InChIInChI=1S/C16H21N5/c1-12-14(8-15(9-17)20(12)2)11-18-10-13-4-3-6-21-7-5-19-16(13)21/h5,7-8,13,18H,3-4,6,10-11H2,1-2H3/t13-/m0/s1
InChIKeyGZAKYCUWFPMYKS-ZDUSSCGKSA-N
XLogP2.07
TPSA58.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,5-dimethyl-4-[[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]methyl]pyrrole-2-carbonitrile with MolForge

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Related Compounds

4-[(cyclopentylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115581124
4-[(cyclopropylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115581351
5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]thiophene-3-carbonitrile
CID 154738030
4-[[(2-hydroxycyclohexyl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115644918
N-[(3-methylfuran-2-yl)methyl]-1-[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
CID 97073207
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
CID 71929168
N-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
CID 97080020
1,5-dimethyl-4-[[(1-methylcyclobutyl)methylamino]methyl]pyrrole-2-carbonitrile
CID 103735836
N-[(5-chlorofuran-2-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
CID 71929186
N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
CID 71929231
4-[[(1-hydroxycyclopentyl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 111114446
4-[(cyclopropylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115572535

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1,5-dimethyl-4-[[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]methyl]pyrrole-2-carbonitrile (CID 97002158) is 1,5-dimethyl-4-[[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1,5-dimethyl-4-[[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1,5-dimethyl-4-[[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]methyl]pyrrole-2-carbonitrile is Cc1c(CNC[C@@H]2CCCn3ccnc32)cc(C#N)n1C.
What is the InChIKey of 1,5-dimethyl-4-[[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]methyl]pyrrole-2-carbonitrile?
The InChIKey is GZAKYCUWFPMYKS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5/c1-12-14(8-15(9-17)20(12)2)11-18-10-13-4-3-6-21-7-5-19-16(13)21/h5,7-8,13,18H,3-4,6,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 1,5-dimethyl-4-[[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]methyl]pyrrole-2-carbonitrile?
1,5-dimethyl-4-[[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]methyl]pyrrole-2-carbonitrile has a molecular weight of 283.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 97002158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).