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

C15H21Cl3N4 — CID 154896453

IUPAC3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-4-chloro-1-methylindazole;dihydrochloride
SMILESCl.Cl.Cn1nc(CN2CC[C@H]3CNC[C@H]32)c2c(Cl)cccc21
InChIInChI=1S/C15H19ClN4.2ClH/c1-19-13-4-2-3-11(16)15(13)12(18-19)9-20-6-5-10-7-17-8-14(10)20;;/h2-4,10,14,17H,5-9H2,1H3;2*1H/t10-,14+;;/m0../s1
InChIKeyKQFWKEJOIDDRMQ-GALVKRIVSA-N
MW363.72 g/mol
LogP2.86
Rot. Bonds2

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

3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-4-chloro-1-methylindazole;dihydrochloride (PubChem CID 154896453) has the molecular formula C15H21Cl3N4 and a molecular weight of 363.72 g/mol. Its IUPAC name is 3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-4-chloro-1-methylindazole;dihydrochloride.

Molecular Properties

Compound Name3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-4-chloro-1-methylindazole;dihydrochloride
PubChem CID154896453
Molecular FormulaC15H21Cl3N4
Molecular Weight363.72 g/mol
Exact Mass362.08
IUPAC Name3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-4-chloro-1-methylindazole;dihydrochloride
SMILESCl.Cl.Cn1nc(CN2CC[C@H]3CNC[C@H]32)c2c(Cl)cccc21
InChIInChI=1S/C15H19ClN4.2ClH/c1-19-13-4-2-3-11(16)15(13)12(18-19)9-20-6-5-10-7-17-8-14(10)20;;/h2-4,10,14,17H,5-9H2,1H3;2*1H/t10-,14+;;/m0../s1
InChIKeyKQFWKEJOIDDRMQ-GALVKRIVSA-N
XLogP2.86
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.72
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-[(4-chloro-1-methylindazol-3-yl)methyl]-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56877054
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
4-chloro-1-methyl-3-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]indazole
CID 77095137
(6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 155248085
4-[(4-chloro-1-methylindazol-3-yl)methyl]piperazine-1-sulfonamide
CID 77078858
(4S,9aR)-8-[(4-chloro-1-methylindazol-3-yl)methyl]-4-cyclopropyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 154821468
(3aS,6aS)-1-[(3-chlorothiophen-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;dihydrochloride
CID 154905300
4-chloro-1-methyl-3-[[(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]indazole
CID 70783312
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681848
(3S,4S)-1-[(4-chloro-1-methylindazol-3-yl)methyl]-4-(dimethylamino)pyrrolidin-3-ol
CID 77090552
(3S,4R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]-N,N-dimethyl-4-propan-2-ylpyrrolidin-3-amine
CID 72920842
4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136762318

Frequently Asked Questions

What is the IUPAC name of 3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-4-chloro-1-methylindazole;dihydrochloride?
The IUPAC name of 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) is 3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-4-chloro-1-methylindazole;dihydrochloride.
What is the SMILES notation for 3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-4-chloro-1-methylindazole;dihydrochloride?
The canonical SMILES for 3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-4-chloro-1-methylindazole;dihydrochloride is Cl.Cl.Cn1nc(CN2CC[C@H]3CNC[C@H]32)c2c(Cl)cccc21.
What is the InChIKey of 3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-4-chloro-1-methylindazole;dihydrochloride?
The InChIKey is KQFWKEJOIDDRMQ-GALVKRIVSA-N. The full InChI is InChI=1S/C15H19ClN4.2ClH/c1-19-13-4-2-3-11(16)15(13)12(18-19)9-20-6-5-10-7-17-8-14(10)20;;/h2-4,10,14,17H,5-9H2,1H3;2*1H/t10-,14+;;/m0../s1.
What are the key properties of 3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-4-chloro-1-methylindazole;dihydrochloride?
3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-4-chloro-1-methylindazole;dihydrochloride has a molecular weight of 363.72 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-4-chloro-1-methylindazole;dihydrochloride is sourced from PubChem (CID 154896453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).