1-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol

C19H28N4O3 — CID 91776517

IUPAC1-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol
SMILESOCC(O)c1cc2n(n1)CCCN(C1CCN(Cc3ccco3)CC1)C2
InChIInChI=1S/C19H28N4O3/c24-14-19(25)18-11-16-12-22(6-2-7-23(16)20-18)15-4-8-21(9-5-15)13-17-3-1-10-26-17/h1,3,10-11,15,19,24-25H,2,4-9,12-14H2
InChIKeyRNJKUFDIHCFFMJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.37
Rot. Bonds5

About 1-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol

1-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol (PubChem CID 91776517) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol
PubChem CID91776517
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name1-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol
SMILESOCC(O)c1cc2n(n1)CCCN(C1CCN(Cc3ccco3)CC1)C2
InChIInChI=1S/C19H28N4O3/c24-14-19(25)18-11-16-12-22(6-2-7-23(16)20-18)15-4-8-21(9-5-15)13-17-3-1-10-26-17/h1,3,10-11,15,19,24-25H,2,4-9,12-14H2
InChIKeyRNJKUFDIHCFFMJ-UHFFFAOYSA-N
XLogP1.37
TPSA77.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol with MolForge

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Related Compounds

1-[5-(2,2-diphenylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol
CID 90653195
[4-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 99996205
(1R)-1-[5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 99973144
2-[2-[(1R)-1,2-dihydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 99973944
2-[3-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119064256
5-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine
CID 131892345
1-(furan-2-ylmethyl)-4-(3-methoxypyrrolidin-1-yl)piperidine
CID 131919672
(3S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 25289818
2-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]-1,3-benzoxazole
CID 131902815
(1R)-1-[5-[3-(tetrazol-1-yl)propyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol
CID 99974181
(1S)-1-[5-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol
CID 99996909
1-[5-[2-(1,3-thiazol-4-yl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol
CID 91795721

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol?
The IUPAC name of 1-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol (CID 91776517) is 1-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol?
The canonical SMILES for 1-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol is OCC(O)c1cc2n(n1)CCCN(C1CCN(Cc3ccco3)CC1)C2.
What is the InChIKey of 1-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol?
The InChIKey is RNJKUFDIHCFFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c24-14-19(25)18-11-16-12-22(6-2-7-23(16)20-18)15-4-8-21(9-5-15)13-17-3-1-10-26-17/h1,3,10-11,15,19,24-25H,2,4-9,12-14H2.
What are the key properties of 1-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol?
1-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol has a molecular weight of 360.46 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol is sourced from PubChem (CID 91776517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).