4-[2-(4-fluorophenyl)-5-[(5-methylindol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine

C26H23FN6 — CID 71137558

IUPAC4-[2-(4-fluorophenyl)-5-[(5-methylindol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
SMILESCc1ccc2c(ccn2CC2CCc3nc(-c4ccc(F)cc4)c(-c4ccnc(N)n4)n32)c1
InChIInChI=1S/C26H23FN6/c1-16-2-8-22-18(14-16)11-13-32(22)15-20-7-9-23-31-24(17-3-5-19(27)6-4-17)25(33(20)23)21-10-12-29-26(28)30-21/h2-6,8,10-14,20H,7,9,15H2,1H3,(H2,28,29,30)
InChIKeyPUWXUMFEMMKVJT-UHFFFAOYSA-N
MW438.51 g/mol
LogP5.18
Rot. Bonds4

About 4-[2-(4-fluorophenyl)-5-[(5-methylindol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine

4-[2-(4-fluorophenyl)-5-[(5-methylindol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine (PubChem CID 71137558) has the molecular formula C26H23FN6 and a molecular weight of 438.51 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-5-[(5-methylindol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-5-[(5-methylindol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
PubChem CID71137558
Molecular FormulaC26H23FN6
Molecular Weight438.51 g/mol
Exact Mass438.20
IUPAC Name4-[2-(4-fluorophenyl)-5-[(5-methylindol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
SMILESCc1ccc2c(ccn2CC2CCc3nc(-c4ccc(F)cc4)c(-c4ccnc(N)n4)n32)c1
InChIInChI=1S/C26H23FN6/c1-16-2-8-22-18(14-16)11-13-32(22)15-20-7-9-23-31-24(17-3-5-19(27)6-4-17)25(33(20)23)21-10-12-29-26(28)30-21/h2-6,8,10-14,20H,7,9,15H2,1H3,(H2,28,29,30)
InChIKeyPUWXUMFEMMKVJT-UHFFFAOYSA-N
XLogP5.18
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.51
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-5-[(5-methylindol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-5-[(5-methylindol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine (CID 71137558) is 4-[2-(4-fluorophenyl)-5-[(5-methylindol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-5-[(5-methylindol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-5-[(5-methylindol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine is Cc1ccc2c(ccn2CC2CCc3nc(-c4ccc(F)cc4)c(-c4ccnc(N)n4)n32)c1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-5-[(5-methylindol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
The InChIKey is PUWXUMFEMMKVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6/c1-16-2-8-22-18(14-16)11-13-32(22)15-20-7-9-23-31-24(17-3-5-19(27)6-4-17)25(33(20)23)21-10-12-29-26(28)30-21/h2-6,8,10-14,20H,7,9,15H2,1H3,(H2,28,29,30).
What are the key properties of 4-[2-(4-fluorophenyl)-5-[(5-methylindol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
4-[2-(4-fluorophenyl)-5-[(5-methylindol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine has a molecular weight of 438.51 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-5-[(5-methylindol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 71137558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).