(1-methylimidazol-2-yl)-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol

C18H28N6O — CID 56883539

IUPAC(1-methylimidazol-2-yl)-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol
SMILESCn1ccnc1C(O)C1CCN(Cc2cc3n(n2)CCCNC3)CC1
InChIInChI=1S/C18H28N6O/c1-22-10-6-20-18(22)17(25)14-3-8-23(9-4-14)13-15-11-16-12-19-5-2-7-24(16)21-15/h6,10-11,14,17,19,25H,2-5,7-9,12-13H2,1H3
InChIKeyVOQQLBSLDXLREW-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.06
Rot. Bonds4

About (1-methylimidazol-2-yl)-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol

(1-methylimidazol-2-yl)-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol (PubChem CID 56883539) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol
PubChem CID56883539
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name(1-methylimidazol-2-yl)-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol
SMILESCn1ccnc1C(O)C1CCN(Cc2cc3n(n2)CCCNC3)CC1
InChIInChI=1S/C18H28N6O/c1-22-10-6-20-18(22)17(25)14-3-8-23(9-4-14)13-15-11-16-12-19-5-2-7-24(16)21-15/h6,10-11,14,17,19,25H,2-5,7-9,12-13H2,1H3
InChIKeyVOQQLBSLDXLREW-UHFFFAOYSA-N
XLogP1.06
TPSA71.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of (1-methylimidazol-2-yl)-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol (CID 56883539) is (1-methylimidazol-2-yl)-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol is Cn1ccnc1C(O)C1CCN(Cc2cc3n(n2)CCCNC3)CC1.
What is the InChIKey of (1-methylimidazol-2-yl)-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is VOQQLBSLDXLREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-22-10-6-20-18(22)17(25)14-3-8-23(9-4-14)13-15-11-16-12-19-5-2-7-24(16)21-15/h6,10-11,14,17,19,25H,2-5,7-9,12-13H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol?
(1-methylimidazol-2-yl)-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 344.46 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 56883539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).