methyl 4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]benzoate

C25H23N5O2 — CID 146407911

IUPACmethyl 4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]benzoate
SMILESCOC(=O)c1ccc(-c2cc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)ccn2)cc1
InChIInChI=1S/C25H23N5O2/c1-32-25(31)17-6-4-16(5-7-17)21-15-18(10-12-26-21)24-23(27-22-3-2-13-29(22)24)20-11-14-30(28-20)19-8-9-19/h4-7,10-12,14-15,19H,2-3,8-9,13H2,1H3
InChIKeyFUOWEVPCFRQJKI-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.54
Rot. Bonds5

About methyl 4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]benzoate

methyl 4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]benzoate (PubChem CID 146407911) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is methyl 4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]benzoate
PubChem CID146407911
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Namemethyl 4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]benzoate
SMILESCOC(=O)c1ccc(-c2cc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)ccn2)cc1
InChIInChI=1S/C25H23N5O2/c1-32-25(31)17-6-4-16(5-7-17)21-15-18(10-12-26-21)24-23(27-22-3-2-13-29(22)24)20-11-14-30(28-20)19-8-9-19/h4-7,10-12,14-15,19H,2-3,8-9,13H2,1H3
InChIKeyFUOWEVPCFRQJKI-UHFFFAOYSA-N
XLogP4.54
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]benzoate?
The IUPAC name of methyl 4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]benzoate (CID 146407911) is methyl 4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]benzoate.
What is the SMILES notation for methyl 4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]benzoate?
The canonical SMILES for methyl 4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]benzoate is COC(=O)c1ccc(-c2cc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)ccn2)cc1.
What is the InChIKey of methyl 4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]benzoate?
The InChIKey is FUOWEVPCFRQJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-32-25(31)17-6-4-16(5-7-17)21-15-18(10-12-26-21)24-23(27-22-3-2-13-29(22)24)20-11-14-30(28-20)19-8-9-19/h4-7,10-12,14-15,19H,2-3,8-9,13H2,1H3.
What are the key properties of methyl 4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]benzoate?
methyl 4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]benzoate has a molecular weight of 425.49 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]benzoate is sourced from PubChem (CID 146407911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).