[3-[4-(5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone

C24H27N5O — CID 141199773

IUPAC[3-[4-(5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(-c2cc(-c3ccc(N4CCNCC4)[nH]3)ccn2)c1)N1CCCC1
InChIInChI=1S/C24H27N5O/c30-24(29-12-1-2-13-29)20-5-3-4-18(16-20)22-17-19(8-9-26-22)21-6-7-23(27-21)28-14-10-25-11-15-28/h3-9,16-17,25,27H,1-2,10-15H2
InChIKeyBXPQCZUAWWGPRG-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.39
Rot. Bonds4

About [3-[4-(5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone

[3-[4-(5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 141199773) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is [3-[4-(5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[4-(5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID141199773
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name[3-[4-(5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(-c2cc(-c3ccc(N4CCNCC4)[nH]3)ccn2)c1)N1CCCC1
InChIInChI=1S/C24H27N5O/c30-24(29-12-1-2-13-29)20-5-3-4-18(16-20)22-17-19(8-9-26-22)21-6-7-23(27-21)28-14-10-25-11-15-28/h3-9,16-17,25,27H,1-2,10-15H2
InChIKeyBXPQCZUAWWGPRG-UHFFFAOYSA-N
XLogP3.39
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(1H-pyrazol-5-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 28881895
2-piperazin-1-yl-5-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile
CID 59292183
(3-piperazin-1-ylphenyl)-piperidin-1-ylmethanone
CID 28748938
[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-(1,4-diazepan-1-yl)methanone;dihydrochloride
CID 154909571
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
[1-[3-(4-amino-2-pyridinyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 119064242
ethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone
CID 143900231
azepan-1-yl-[4-(3-piperazin-1-ylphenyl)phenyl]methanone;hydrochloride
CID 154909425
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662
[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 53218719
[2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 121494580
[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051678

Frequently Asked Questions

What is the IUPAC name of [3-[4-(5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-[4-(5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone (CID 141199773) is [3-[4-(5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-[4-(5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-[4-(5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone is O=C(c1cccc(-c2cc(-c3ccc(N4CCNCC4)[nH]3)ccn2)c1)N1CCCC1.
What is the InChIKey of [3-[4-(5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is BXPQCZUAWWGPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c30-24(29-12-1-2-13-29)20-5-3-4-18(16-20)22-17-19(8-9-26-22)21-6-7-23(27-21)28-14-10-25-11-15-28/h3-9,16-17,25,27H,1-2,10-15H2.
What are the key properties of [3-[4-(5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone?
[3-[4-(5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 401.51 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 141199773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).