3,5-dichloro-2-(4-phenylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine

C19H23Cl2N5 — CID 10430594

IUPAC3,5-dichloro-2-(4-phenylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine
SMILESNc1c(Cl)c(N2CCCC2)nc(N2CCN(c3ccccc3)CC2)c1Cl
InChIInChI=1S/C19H23Cl2N5/c20-15-17(22)16(21)19(23-18(15)25-8-4-5-9-25)26-12-10-24(11-13-26)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2,(H2,22,23)
InChIKeyFFSNQZVNLACFOL-UHFFFAOYSA-N
MW392.33 g/mol
LogP3.90
Rot. Bonds3

About 3,5-dichloro-2-(4-phenylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine

3,5-dichloro-2-(4-phenylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine (PubChem CID 10430594) has the molecular formula C19H23Cl2N5 and a molecular weight of 392.33 g/mol. Its IUPAC name is 3,5-dichloro-2-(4-phenylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine.

Molecular Properties

Compound Name3,5-dichloro-2-(4-phenylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine
PubChem CID10430594
Molecular FormulaC19H23Cl2N5
Molecular Weight392.33 g/mol
Exact Mass391.13
IUPAC Name3,5-dichloro-2-(4-phenylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine
SMILESNc1c(Cl)c(N2CCCC2)nc(N2CCN(c3ccccc3)CC2)c1Cl
InChIInChI=1S/C19H23Cl2N5/c20-15-17(22)16(21)19(23-18(15)25-8-4-5-9-25)26-12-10-24(11-13-26)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2,(H2,22,23)
InChIKeyFFSNQZVNLACFOL-UHFFFAOYSA-N
XLogP3.90
TPSA48.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2,5-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 63735915
2,4-dichloro-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine
CID 62859583
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-1-ylquinazoline
CID 25144879
carbamic acid;1-phenylpiperidine
CID 161473217
ethane;methanol;1-phenylpiperidine
CID 177175072
1-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19138681
1-methyl-3-(4-phenylpiperazin-1-yl)pyrazol-4-amine
CID 103077808
4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137255
2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane
CID 143330280
4-chloro-5-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 63735916
4-pyrrolidin-1-ylquinazolin-2-amine
CID 57342786
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 8934171

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(4-phenylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine?
The IUPAC name of 3,5-dichloro-2-(4-phenylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine (CID 10430594) is 3,5-dichloro-2-(4-phenylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine.
What is the SMILES notation for 3,5-dichloro-2-(4-phenylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine?
The canonical SMILES for 3,5-dichloro-2-(4-phenylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine is Nc1c(Cl)c(N2CCCC2)nc(N2CCN(c3ccccc3)CC2)c1Cl.
What is the InChIKey of 3,5-dichloro-2-(4-phenylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine?
The InChIKey is FFSNQZVNLACFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N5/c20-15-17(22)16(21)19(23-18(15)25-8-4-5-9-25)26-12-10-24(11-13-26)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2,(H2,22,23).
What are the key properties of 3,5-dichloro-2-(4-phenylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine?
3,5-dichloro-2-(4-phenylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine has a molecular weight of 392.33 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(4-phenylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine is sourced from PubChem (CID 10430594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).