5-(2-methoxyethyl)-7-[2-[5-(methoxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propyl]-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine

C23H38N6O2 — CID 129081892

IUPAC5-(2-methoxyethyl)-7-[2-[5-(methoxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propyl]-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine
SMILESCOCCN1Cc2c(C(C)C)n[nH]c2CC(CC(C)c2n[nH]c3c2CN(COC)C3)C1
InChIInChI=1S/C23H38N6O2/c1-15(2)22-18-11-28(6-7-30-4)10-17(9-20(18)24-26-22)8-16(3)23-19-12-29(14-31-5)13-21(19)25-27-23/h15-17H,6-14H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyHXYPJOJNIYTHPK-UHFFFAOYSA-N
MW430.60 g/mol
LogP2.99
Rot. Bonds9

About 5-(2-methoxyethyl)-7-[2-[5-(methoxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propyl]-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine

5-(2-methoxyethyl)-7-[2-[5-(methoxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propyl]-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine (PubChem CID 129081892) has the molecular formula C23H38N6O2 and a molecular weight of 430.60 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-7-[2-[5-(methoxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propyl]-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine.

Molecular Properties

Compound Name5-(2-methoxyethyl)-7-[2-[5-(methoxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propyl]-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine
PubChem CID129081892
Molecular FormulaC23H38N6O2
Molecular Weight430.60 g/mol
Exact Mass430.31
IUPAC Name5-(2-methoxyethyl)-7-[2-[5-(methoxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propyl]-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine
SMILESCOCCN1Cc2c(C(C)C)n[nH]c2CC(CC(C)c2n[nH]c3c2CN(COC)C3)C1
InChIInChI=1S/C23H38N6O2/c1-15(2)22-18-11-28(6-7-30-4)10-17(9-20(18)24-26-22)8-16(3)23-19-12-29(14-31-5)13-21(19)25-27-23/h15-17H,6-14H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyHXYPJOJNIYTHPK-UHFFFAOYSA-N
XLogP2.99
TPSA82.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(2-methoxyethyl)-7-[2-[5-(methoxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propyl]-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-7-[2-[5-(methoxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propyl]-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine?
The IUPAC name of 5-(2-methoxyethyl)-7-[2-[5-(methoxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propyl]-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine (CID 129081892) is 5-(2-methoxyethyl)-7-[2-[5-(methoxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propyl]-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine.
What is the SMILES notation for 5-(2-methoxyethyl)-7-[2-[5-(methoxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propyl]-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine?
The canonical SMILES for 5-(2-methoxyethyl)-7-[2-[5-(methoxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propyl]-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine is COCCN1Cc2c(C(C)C)n[nH]c2CC(CC(C)c2n[nH]c3c2CN(COC)C3)C1.
What is the InChIKey of 5-(2-methoxyethyl)-7-[2-[5-(methoxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propyl]-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine?
The InChIKey is HXYPJOJNIYTHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N6O2/c1-15(2)22-18-11-28(6-7-30-4)10-17(9-20(18)24-26-22)8-16(3)23-19-12-29(14-31-5)13-21(19)25-27-23/h15-17H,6-14H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of 5-(2-methoxyethyl)-7-[2-[5-(methoxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propyl]-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine?
5-(2-methoxyethyl)-7-[2-[5-(methoxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propyl]-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine has a molecular weight of 430.60 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-7-[2-[5-(methoxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propyl]-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine is sourced from PubChem (CID 129081892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).