2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine

C15H25N5 — CID 79353027

IUPAC2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
SMILESc1nc2c([nH]1)CNC(CN1CCCN3CCCC3C1)C2
InChIInChI=1S/C15H25N5/c1-3-13-10-19(4-2-6-20(13)5-1)9-12-7-14-15(8-16-12)18-11-17-14/h11-13,16H,1-10H2,(H,17,18)
InChIKeyPFZFFXXZSLSNFK-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.59
Rot. Bonds2

About 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine

2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine (PubChem CID 79353027) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
PubChem CID79353027
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
SMILESc1nc2c([nH]1)CNC(CN1CCCN3CCCC3C1)C2
InChIInChI=1S/C15H25N5/c1-3-13-10-19(4-2-6-20(13)5-1)9-12-7-14-15(8-16-12)18-11-17-14/h11-13,16H,1-10H2,(H,17,18)
InChIKeyPFZFFXXZSLSNFK-UHFFFAOYSA-N
XLogP0.59
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine with MolForge

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Related Compounds

6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 79361446
6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 79361445
[4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)cyclohexyl]methanamine
CID 79532956
2-(2,3-dihydro-1H-indol-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 80567993
2-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63151684
2-(cyclobutylmethyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79925982
3-pyrrolidin-1-yl-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 63169586
2-[(4-ethylcyclohexyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939394
3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 104870181
2-(pyridin-4-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79006212
4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 79352116
(3S)-3-[(4-cyclobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 121362848

Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine?
The IUPAC name of 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine (CID 79353027) is 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine is c1nc2c([nH]1)CNC(CN1CCCN3CCCC3C1)C2.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine?
The InChIKey is PFZFFXXZSLSNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-3-13-10-19(4-2-6-20(13)5-1)9-12-7-14-15(8-16-12)18-11-17-14/h11-13,16H,1-10H2,(H,17,18).
What are the key properties of 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine?
2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine has a molecular weight of 275.40 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine is sourced from PubChem (CID 79353027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).