1-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-3-methylimidazo[1,5-a]pyridine;dihydrochloride

C15H22Cl2N4 — CID 154905678

IUPAC1-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-3-methylimidazo[1,5-a]pyridine;dihydrochloride
SMILESCc1nc(CN2CC[C@H]3CNC[C@H]32)c2ccccn12.Cl.Cl
InChIInChI=1S/C15H20N4.2ClH/c1-11-17-13(14-4-2-3-6-19(11)14)10-18-7-5-12-8-16-9-15(12)18;;/h2-4,6,12,15-16H,5,7-10H2,1H3;2*1H/t12-,15+;;/m0../s1
InChIKeySNRZZWQANSVOJK-XQFYMRMDSA-N
MW329.28 g/mol
LogP2.28
Rot. Bonds2

About 1-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-3-methylimidazo[1,5-a]pyridine;dihydrochloride

1-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-3-methylimidazo[1,5-a]pyridine;dihydrochloride (PubChem CID 154905678) has the molecular formula C15H22Cl2N4 and a molecular weight of 329.28 g/mol. Its IUPAC name is 1-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-3-methylimidazo[1,5-a]pyridine;dihydrochloride.

Molecular Properties

Compound Name1-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-3-methylimidazo[1,5-a]pyridine;dihydrochloride
PubChem CID154905678
Molecular FormulaC15H22Cl2N4
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name1-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-3-methylimidazo[1,5-a]pyridine;dihydrochloride
SMILESCc1nc(CN2CC[C@H]3CNC[C@H]32)c2ccccn12.Cl.Cl
InChIInChI=1S/C15H20N4.2ClH/c1-11-17-13(14-4-2-3-6-19(11)14)10-18-7-5-12-8-16-9-15(12)18;;/h2-4,6,12,15-16H,5,7-10H2,1H3;2*1H/t12-,15+;;/m0../s1
InChIKeySNRZZWQANSVOJK-XQFYMRMDSA-N
XLogP2.28
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-3-methylimidazo[1,5-a]pyridine;dihydrochloride with MolForge

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Related Compounds

(6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 155248085
3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-4-chloro-1-methylindazole;dihydrochloride
CID 154896453
3-methyl-1-propylimidazo[1,5-a]pyridine
CID 145078679
1-(chloromethyl)-3-methylimidazo[1,5-a]pyridine
CID 112552822
1-[1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]piperidin-4-yl]-2-phenylethanol
CID 56913721
2-(3-methylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 28797826
3-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]propoxy-tert-butyl-diphenylsilane
CID 140943972
3-methyl-1-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
CID 95707908
2-cyclopropyl-6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946552
3-methyl-1-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
CID 56905474
(3aS,6aS)-1-[(3-chlorothiophen-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;dihydrochloride
CID 154905300
N-[[(3R)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]piperidin-3-yl]methyl]butanamide
CID 95190757

Frequently Asked Questions

What is the IUPAC name of 1-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-3-methylimidazo[1,5-a]pyridine;dihydrochloride?
The IUPAC name of 1-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-3-methylimidazo[1,5-a]pyridine;dihydrochloride (CID 154905678) is 1-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-3-methylimidazo[1,5-a]pyridine;dihydrochloride.
What is the SMILES notation for 1-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-3-methylimidazo[1,5-a]pyridine;dihydrochloride?
The canonical SMILES for 1-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-3-methylimidazo[1,5-a]pyridine;dihydrochloride is Cc1nc(CN2CC[C@H]3CNC[C@H]32)c2ccccn12.Cl.Cl.
What is the InChIKey of 1-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-3-methylimidazo[1,5-a]pyridine;dihydrochloride?
The InChIKey is SNRZZWQANSVOJK-XQFYMRMDSA-N. The full InChI is InChI=1S/C15H20N4.2ClH/c1-11-17-13(14-4-2-3-6-19(11)14)10-18-7-5-12-8-16-9-15(12)18;;/h2-4,6,12,15-16H,5,7-10H2,1H3;2*1H/t12-,15+;;/m0../s1.
What are the key properties of 1-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-3-methylimidazo[1,5-a]pyridine;dihydrochloride?
1-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-3-methylimidazo[1,5-a]pyridine;dihydrochloride has a molecular weight of 329.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-3-methylimidazo[1,5-a]pyridine;dihydrochloride is sourced from PubChem (CID 154905678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).