7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-3,5,6,8a-tetrahydroindolizine

C23H21N3 — CID 10132000

IUPAC7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-3,5,6,8a-tetrahydroindolizine
SMILESC1=CC2C=C(c3c[nH]c(-c4ccccc4)c3-c3ccncc3)CCN2C1
InChIInChI=1S/C23H21N3/c1-2-5-18(6-3-1)23-22(17-8-11-24-12-9-17)21(16-25-23)19-10-14-26-13-4-7-20(26)15-19/h1-9,11-12,15-16,20,25H,10,13-14H2
InChIKeyDDPIKSIDXCPWCN-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.77
Rot. Bonds3

About 7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-3,5,6,8a-tetrahydroindolizine

7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-3,5,6,8a-tetrahydroindolizine (PubChem CID 10132000) has the molecular formula C23H21N3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-3,5,6,8a-tetrahydroindolizine.

Molecular Properties

Compound Name7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-3,5,6,8a-tetrahydroindolizine
PubChem CID10132000
Molecular FormulaC23H21N3
Molecular Weight339.44 g/mol
Exact Mass339.17
IUPAC Name7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-3,5,6,8a-tetrahydroindolizine
SMILESC1=CC2C=C(c3c[nH]c(-c4ccccc4)c3-c3ccncc3)CCN2C1
InChIInChI=1S/C23H21N3/c1-2-5-18(6-3-1)23-22(17-8-11-24-12-9-17)21(16-25-23)19-10-14-26-13-4-7-20(26)15-19/h1-9,11-12,15-16,20,25H,10,13-14H2
InChIKeyDDPIKSIDXCPWCN-UHFFFAOYSA-N
XLogP4.77
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-1,2,3,5,6,8a-hexahydroindolizine
CID 10132124
(8aS)-2-ethyl-7-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,5,6,8a-tetrahydroindolizine
CID 139935933
2,3,4-triphenyl-1H-pyrrole;hydrochloride
CID 172844821
(8aR)-7-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-2-methylidene-3,5,8,8a-tetrahydro-1H-indolizine
CID 58718231
N-cyclopropyl-4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethenyl]benzenesulfonamide
CID 174494952
4-[2-(4-fluorophenyl)-4-[1-[2-(4-methylsulfonylphenyl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrol-3-yl]pyridine;hydrochloride
CID 23112066
7-[3-(3-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1,2,3,5,6,8a-hexahydroindolizine
CID 10134163
ethyl 4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzoate
CID 23112034
4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-N-methylbenzenesulfonamide
CID 174494978
4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 23112061
4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethenyl]-N-prop-2-enoxybenzenesulfonamide
CID 174509412
4-[2-(4-fluorophenyl)-4-[1-[2-[4-(2-methoxyethylsulfonyl)phenyl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrol-3-yl]pyridine
CID 11410192

Frequently Asked Questions

What is the IUPAC name of 7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-3,5,6,8a-tetrahydroindolizine?
The IUPAC name of 7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-3,5,6,8a-tetrahydroindolizine (CID 10132000) is 7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-3,5,6,8a-tetrahydroindolizine.
What is the SMILES notation for 7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-3,5,6,8a-tetrahydroindolizine?
The canonical SMILES for 7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-3,5,6,8a-tetrahydroindolizine is C1=CC2C=C(c3c[nH]c(-c4ccccc4)c3-c3ccncc3)CCN2C1.
What is the InChIKey of 7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-3,5,6,8a-tetrahydroindolizine?
The InChIKey is DDPIKSIDXCPWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3/c1-2-5-18(6-3-1)23-22(17-8-11-24-12-9-17)21(16-25-23)19-10-14-26-13-4-7-20(26)15-19/h1-9,11-12,15-16,20,25H,10,13-14H2.
What are the key properties of 7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-3,5,6,8a-tetrahydroindolizine?
7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-3,5,6,8a-tetrahydroindolizine has a molecular weight of 339.44 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-3,5,6,8a-tetrahydroindolizine is sourced from PubChem (CID 10132000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).