[1-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;hydrochloride

C21H30ClN5O2 — CID 146051903

IUPAC[1-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOCCn1nc(C(=O)N2CCN(c3ccccc3C)CC2)c2c1CCNC2.Cl
InChIInChI=1S/C21H29N5O2.ClH/c1-16-5-3-4-6-18(16)24-9-11-25(12-10-24)21(27)20-17-15-22-8-7-19(17)26(23-20)13-14-28-2;/h3-6,22H,7-15H2,1-2H3;1H
InChIKeyPEFUCCBIWWTOHW-UHFFFAOYSA-N
MW419.96 g/mol
LogP1.87
Rot. Bonds5

About [1-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;hydrochloride

[1-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 146051903) has the molecular formula C21H30ClN5O2 and a molecular weight of 419.96 g/mol. Its IUPAC name is [1-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[1-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID146051903
Molecular FormulaC21H30ClN5O2
Molecular Weight419.96 g/mol
Exact Mass419.21
IUPAC Name[1-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOCCn1nc(C(=O)N2CCN(c3ccccc3C)CC2)c2c1CCNC2.Cl
InChIInChI=1S/C21H29N5O2.ClH/c1-16-5-3-4-6-18(16)24-9-11-25(12-10-24)21(27)20-17-15-22-8-7-19(17)26(23-20)13-14-28-2;/h3-6,22H,7-15H2,1-2H3;1H
InChIKeyPEFUCCBIWWTOHW-UHFFFAOYSA-N
XLogP1.87
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of [1-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;hydrochloride (CID 146051903) is [1-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [1-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for [1-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;hydrochloride is COCCn1nc(C(=O)N2CCN(c3ccccc3C)CC2)c2c1CCNC2.Cl.
What is the InChIKey of [1-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is PEFUCCBIWWTOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2.ClH/c1-16-5-3-4-6-18(16)24-9-11-25(12-10-24)21(27)20-17-15-22-8-7-19(17)26(23-20)13-14-28-2;/h3-6,22H,7-15H2,1-2H3;1H.
What are the key properties of [1-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;hydrochloride?
[1-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 419.96 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 146051903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).