6-methyl-3-[4-[4-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-1-yl]butyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

C24H33N5O2 — CID 126694505

IUPAC6-methyl-3-[4-[4-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-1-yl]butyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1ccc2c(=O)[nH]c(CCCCN3CCC(C(=O)c4cnn(C(C)C)c4)CC3)cn12
InChIInChI=1S/C24H33N5O2/c1-17(2)29-15-20(14-25-29)23(30)19-9-12-27(13-10-19)11-5-4-6-21-16-28-18(3)7-8-22(28)24(31)26-21/h7-8,14-17,19H,4-6,9-13H2,1-3H3,(H,26,31)
InChIKeyBQDIMCUUTRZWOT-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.63
Rot. Bonds8

About 6-methyl-3-[4-[4-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-1-yl]butyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

6-methyl-3-[4-[4-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-1-yl]butyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 126694505) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 6-methyl-3-[4-[4-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-1-yl]butyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6-methyl-3-[4-[4-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-1-yl]butyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID126694505
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name6-methyl-3-[4-[4-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-1-yl]butyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1ccc2c(=O)[nH]c(CCCCN3CCC(C(=O)c4cnn(C(C)C)c4)CC3)cn12
InChIInChI=1S/C24H33N5O2/c1-17(2)29-15-20(14-25-29)23(30)19-9-12-27(13-10-19)11-5-4-6-21-16-28-18(3)7-8-22(28)24(31)26-21/h7-8,14-17,19H,4-6,9-13H2,1-3H3,(H,26,31)
InChIKeyBQDIMCUUTRZWOT-UHFFFAOYSA-N
XLogP3.63
TPSA75.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[4-[4-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-1-yl]butyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6-methyl-3-[4-[4-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-1-yl]butyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 126694505) is 6-methyl-3-[4-[4-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-1-yl]butyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 6-methyl-3-[4-[4-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-1-yl]butyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6-methyl-3-[4-[4-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-1-yl]butyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is Cc1ccc2c(=O)[nH]c(CCCCN3CCC(C(=O)c4cnn(C(C)C)c4)CC3)cn12.
What is the InChIKey of 6-methyl-3-[4-[4-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-1-yl]butyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is BQDIMCUUTRZWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-17(2)29-15-20(14-25-29)23(30)19-9-12-27(13-10-19)11-5-4-6-21-16-28-18(3)7-8-22(28)24(31)26-21/h7-8,14-17,19H,4-6,9-13H2,1-3H3,(H,26,31).
What are the key properties of 6-methyl-3-[4-[4-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-1-yl]butyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
6-methyl-3-[4-[4-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-1-yl]butyl]-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 423.56 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[4-[4-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-1-yl]butyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 126694505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).