[2-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C27H28FN5O — CID 97447293

IUPAC[2-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccnn1-c1ccc2ccc(-c3ccc(F)cc3)cn12)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C27H28FN5O/c28-22-6-3-20(4-7-22)21-5-8-24-9-10-26(32(24)19-21)33-25(11-14-29-33)27(34)31-17-12-23(13-18-31)30-15-1-2-16-30/h3-11,14,19,23H,1-2,12-13,15-18H2
InChIKeyJYRJADGKXFBOSR-UHFFFAOYSA-N
MW457.55 g/mol
LogP4.63
Rot. Bonds4

About [2-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

[2-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 97447293) has the molecular formula C27H28FN5O and a molecular weight of 457.55 g/mol. Its IUPAC name is [2-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID97447293
Molecular FormulaC27H28FN5O
Molecular Weight457.55 g/mol
Exact Mass457.23
IUPAC Name[2-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccnn1-c1ccc2ccc(-c3ccc(F)cc3)cn12)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C27H28FN5O/c28-22-6-3-20(4-7-22)21-5-8-24-9-10-26(32(24)19-21)33-25(11-14-29-33)27(34)31-17-12-23(13-18-31)30-15-1-2-16-30/h3-11,14,19,23H,1-2,12-13,15-18H2
InChIKeyJYRJADGKXFBOSR-UHFFFAOYSA-N
XLogP4.63
TPSA45.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperazin-1-yl)-[2-(6-pyridin-4-ylindolizin-3-yl)pyrazol-3-yl]methanone
CID 97447266
[4-(4-fluorophenyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164861
(6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115497554
[1-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97362180
(2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61042349
(3-fluoro-4-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115646457
(4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115745976
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868488
[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46323923
[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56551199
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479

Frequently Asked Questions

What is the IUPAC name of [2-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [2-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 97447293) is [2-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is O=C(c1ccnn1-c1ccc2ccc(-c3ccc(F)cc3)cn12)N1CCC(N2CCCC2)CC1.
What is the InChIKey of [2-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is JYRJADGKXFBOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O/c28-22-6-3-20(4-7-22)21-5-8-24-9-10-26(32(24)19-21)33-25(11-14-29-33)27(34)31-17-12-23(13-18-31)30-15-1-2-16-30/h3-11,14,19,23H,1-2,12-13,15-18H2.
What are the key properties of [2-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[2-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 457.55 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 97447293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).