1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one;dihydrochloride

C19H30Cl2N6O2 — CID 154894449

IUPAC1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one;dihydrochloride
SMILESCl.Cl.Cn1ccnc1C(O)C1CCN(C(=O)CCc2cc3n(n2)CCNC3)CC1
InChIInChI=1S/C19H28N6O2.2ClH/c1-23-10-7-21-19(23)18(27)14-4-8-24(9-5-14)17(26)3-2-15-12-16-13-20-6-11-25(16)22-15;;/h7,10,12,14,18,20,27H,2-6,8-9,11,13H2,1H3;2*1H
InChIKeyDWCXEFMAEXKSIG-UHFFFAOYSA-N
MW445.40 g/mol
LogP1.47
Rot. Bonds5

About 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one;dihydrochloride

1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one;dihydrochloride (PubChem CID 154894449) has the molecular formula C19H30Cl2N6O2 and a molecular weight of 445.40 g/mol. Its IUPAC name is 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one;dihydrochloride
PubChem CID154894449
Molecular FormulaC19H30Cl2N6O2
Molecular Weight445.40 g/mol
Exact Mass444.18
IUPAC Name1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one;dihydrochloride
SMILESCl.Cl.Cn1ccnc1C(O)C1CCN(C(=O)CCc2cc3n(n2)CCNC3)CC1
InChIInChI=1S/C19H28N6O2.2ClH/c1-23-10-7-21-19(23)18(27)14-4-8-24(9-5-14)17(26)3-2-15-12-16-13-20-6-11-25(16)22-15;;/h7,10,12,14,18,20,27H,2-6,8-9,11,13H2,1H3;2*1H
InChIKeyDWCXEFMAEXKSIG-UHFFFAOYSA-N
XLogP1.47
TPSA88.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one;dihydrochloride with MolForge

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Related Compounds

1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 90648390
1-(4-methylsulfonylpiperazin-1-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one
CID 70775835
3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 70742362
3-(1,3-dihydroisoindol-2-yl)-1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 91795299
1-[4-(pyridin-2-ylamino)piperidin-1-yl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propan-1-one;dihydrochloride
CID 154894563
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 139011223
2H-benzotriazol-5-yl-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 77096803
3-benzylsulfanyl-1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 135106649
3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1-thiomorpholin-4-ylpropan-1-one
CID 70734173
1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one
CID 70762036
1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124750923
formic acid;1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 154914696

Frequently Asked Questions

What is the IUPAC name of 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one;dihydrochloride?
The IUPAC name of 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one;dihydrochloride (CID 154894449) is 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one;dihydrochloride.
What is the SMILES notation for 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one;dihydrochloride?
The canonical SMILES for 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one;dihydrochloride is Cl.Cl.Cn1ccnc1C(O)C1CCN(C(=O)CCc2cc3n(n2)CCNC3)CC1.
What is the InChIKey of 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one;dihydrochloride?
The InChIKey is DWCXEFMAEXKSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2.2ClH/c1-23-10-7-21-19(23)18(27)14-4-8-24(9-5-14)17(26)3-2-15-12-16-13-20-6-11-25(16)22-15;;/h7,10,12,14,18,20,27H,2-6,8-9,11,13H2,1H3;2*1H.
What are the key properties of 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one;dihydrochloride?
1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one;dihydrochloride has a molecular weight of 445.40 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one;dihydrochloride is sourced from PubChem (CID 154894449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).