2-methoxy-1-[7-[2-[5-(2-methoxyethyl)-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]azepin-5-yl]ethanone

C24H38N6O3 — CID 135296155

IUPAC2-methoxy-1-[7-[2-[5-(2-methoxyethyl)-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]azepin-5-yl]ethanone
SMILESCOCCN1Cc2[nH]nc(C(C)CC3Cc4[nH]nc(C(C)C)c4CN(C(=O)COC)C3)c2C1
InChIInChI=1S/C24H38N6O3/c1-15(2)23-19-12-30(22(31)14-33-5)10-17(9-20(19)25-27-23)8-16(3)24-18-11-29(6-7-32-4)13-21(18)26-28-24/h15-17H,6-14H2,1-5H3,(H,25,27)(H,26,28)
InChIKeyONNWMGBYFQCACN-UHFFFAOYSA-N
MW458.61 g/mol
LogP2.56
Rot. Bonds9

About 2-methoxy-1-[7-[2-[5-(2-methoxyethyl)-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]azepin-5-yl]ethanone

2-methoxy-1-[7-[2-[5-(2-methoxyethyl)-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]azepin-5-yl]ethanone (PubChem CID 135296155) has the molecular formula C24H38N6O3 and a molecular weight of 458.61 g/mol. Its IUPAC name is 2-methoxy-1-[7-[2-[5-(2-methoxyethyl)-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]azepin-5-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[7-[2-[5-(2-methoxyethyl)-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]azepin-5-yl]ethanone
PubChem CID135296155
Molecular FormulaC24H38N6O3
Molecular Weight458.61 g/mol
Exact Mass458.30
IUPAC Name2-methoxy-1-[7-[2-[5-(2-methoxyethyl)-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]azepin-5-yl]ethanone
SMILESCOCCN1Cc2[nH]nc(C(C)CC3Cc4[nH]nc(C(C)C)c4CN(C(=O)COC)C3)c2C1
InChIInChI=1S/C24H38N6O3/c1-15(2)23-19-12-30(22(31)14-33-5)10-17(9-20(19)25-27-23)8-16(3)24-18-11-29(6-7-32-4)13-21(18)26-28-24/h15-17H,6-14H2,1-5H3,(H,25,27)(H,26,28)
InChIKeyONNWMGBYFQCACN-UHFFFAOYSA-N
XLogP2.56
TPSA99.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-1-[7-[2-[5-(2-methoxyethyl)-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]azepin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[7-[2-[5-(2-methoxyethyl)-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]azepin-5-yl]ethanone?
The IUPAC name of 2-methoxy-1-[7-[2-[5-(2-methoxyethyl)-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]azepin-5-yl]ethanone (CID 135296155) is 2-methoxy-1-[7-[2-[5-(2-methoxyethyl)-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]azepin-5-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[7-[2-[5-(2-methoxyethyl)-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]azepin-5-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[7-[2-[5-(2-methoxyethyl)-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]azepin-5-yl]ethanone is COCCN1Cc2[nH]nc(C(C)CC3Cc4[nH]nc(C(C)C)c4CN(C(=O)COC)C3)c2C1.
What is the InChIKey of 2-methoxy-1-[7-[2-[5-(2-methoxyethyl)-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]azepin-5-yl]ethanone?
The InChIKey is ONNWMGBYFQCACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6O3/c1-15(2)23-19-12-30(22(31)14-33-5)10-17(9-20(19)25-27-23)8-16(3)24-18-11-29(6-7-32-4)13-21(18)26-28-24/h15-17H,6-14H2,1-5H3,(H,25,27)(H,26,28).
What are the key properties of 2-methoxy-1-[7-[2-[5-(2-methoxyethyl)-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]azepin-5-yl]ethanone?
2-methoxy-1-[7-[2-[5-(2-methoxyethyl)-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]azepin-5-yl]ethanone has a molecular weight of 458.61 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[7-[2-[5-(2-methoxyethyl)-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]azepin-5-yl]ethanone is sourced from PubChem (CID 135296155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).