4-[3-[[3-cyclopentyl-4-(3-imidazol-1-yl-3-oxopropyl)-5-methyl-1H-pyrrol-2-yl]methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one

C24H27N7O2 — CID 91453787

IUPAC4-[3-[[3-cyclopentyl-4-(3-imidazol-1-yl-3-oxopropyl)-5-methyl-1H-pyrrol-2-yl]methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one
SMILESCc1[nH]c(Cc2nccnc2-c2c[nH][nH]c2=O)c(C2CCCC2)c1CCC(=O)n1ccnc1
InChIInChI=1S/C24H27N7O2/c1-15-17(6-7-21(32)31-11-10-25-14-31)22(16-4-2-3-5-16)19(29-15)12-20-23(27-9-8-26-20)18-13-28-30-24(18)33/h8-11,13-14,16,29H,2-7,12H2,1H3,(H2,28,30,33)
InChIKeySAXBTRVNZFWRJY-UHFFFAOYSA-N
MW445.53 g/mol
LogP3.51
Rot. Bonds7

About 4-[3-[[3-cyclopentyl-4-(3-imidazol-1-yl-3-oxopropyl)-5-methyl-1H-pyrrol-2-yl]methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one

4-[3-[[3-cyclopentyl-4-(3-imidazol-1-yl-3-oxopropyl)-5-methyl-1H-pyrrol-2-yl]methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one (PubChem CID 91453787) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 4-[3-[[3-cyclopentyl-4-(3-imidazol-1-yl-3-oxopropyl)-5-methyl-1H-pyrrol-2-yl]methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[3-[[3-cyclopentyl-4-(3-imidazol-1-yl-3-oxopropyl)-5-methyl-1H-pyrrol-2-yl]methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one
PubChem CID91453787
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name4-[3-[[3-cyclopentyl-4-(3-imidazol-1-yl-3-oxopropyl)-5-methyl-1H-pyrrol-2-yl]methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one
SMILESCc1[nH]c(Cc2nccnc2-c2c[nH][nH]c2=O)c(C2CCCC2)c1CCC(=O)n1ccnc1
InChIInChI=1S/C24H27N7O2/c1-15-17(6-7-21(32)31-11-10-25-14-31)22(16-4-2-3-5-16)19(29-15)12-20-23(27-9-8-26-20)18-13-28-30-24(18)33/h8-11,13-14,16,29H,2-7,12H2,1H3,(H2,28,30,33)
InChIKeySAXBTRVNZFWRJY-UHFFFAOYSA-N
XLogP3.51
TPSA125.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[3-[[3-cyclopentyl-4-(3-imidazol-1-yl-3-oxopropyl)-5-methyl-1H-pyrrol-2-yl]methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[3-cyclopentyl-4-(3-imidazol-1-yl-3-oxopropyl)-5-methyl-1H-pyrrol-2-yl]methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[3-[[3-cyclopentyl-4-(3-imidazol-1-yl-3-oxopropyl)-5-methyl-1H-pyrrol-2-yl]methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one (CID 91453787) is 4-[3-[[3-cyclopentyl-4-(3-imidazol-1-yl-3-oxopropyl)-5-methyl-1H-pyrrol-2-yl]methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[3-[[3-cyclopentyl-4-(3-imidazol-1-yl-3-oxopropyl)-5-methyl-1H-pyrrol-2-yl]methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[3-[[3-cyclopentyl-4-(3-imidazol-1-yl-3-oxopropyl)-5-methyl-1H-pyrrol-2-yl]methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one is Cc1[nH]c(Cc2nccnc2-c2c[nH][nH]c2=O)c(C2CCCC2)c1CCC(=O)n1ccnc1.
What is the InChIKey of 4-[3-[[3-cyclopentyl-4-(3-imidazol-1-yl-3-oxopropyl)-5-methyl-1H-pyrrol-2-yl]methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one?
The InChIKey is SAXBTRVNZFWRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-15-17(6-7-21(32)31-11-10-25-14-31)22(16-4-2-3-5-16)19(29-15)12-20-23(27-9-8-26-20)18-13-28-30-24(18)33/h8-11,13-14,16,29H,2-7,12H2,1H3,(H2,28,30,33).
What are the key properties of 4-[3-[[3-cyclopentyl-4-(3-imidazol-1-yl-3-oxopropyl)-5-methyl-1H-pyrrol-2-yl]methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one?
4-[3-[[3-cyclopentyl-4-(3-imidazol-1-yl-3-oxopropyl)-5-methyl-1H-pyrrol-2-yl]methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one has a molecular weight of 445.53 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[3-cyclopentyl-4-(3-imidazol-1-yl-3-oxopropyl)-5-methyl-1H-pyrrol-2-yl]methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 91453787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).