1-[6-[5-(2,4-difluorohexa-2,4-dien-3-yl)-1H-indol-3-yl]pyrazin-2-yl]piperidin-4-amine

C23H25F2N5 — CID 123503153

IUPAC1-[6-[5-(2,4-difluorohexa-2,4-dien-3-yl)-1H-indol-3-yl]pyrazin-2-yl]piperidin-4-amine
SMILESCC=C(F)C(=C(C)F)c1ccc2[nH]cc(-c3cncc(N4CCC(N)CC4)n3)c2c1
InChIInChI=1S/C23H25F2N5/c1-3-19(25)23(14(2)24)15-4-5-20-17(10-15)18(11-28-20)21-12-27-13-22(29-21)30-8-6-16(26)7-9-30/h3-5,10-13,16,28H,6-9,26H2,1-2H3
InChIKeyQZQDVJZKAYPSTR-UHFFFAOYSA-N
MW409.48 g/mol
LogP5.13
Rot. Bonds4

About 1-[6-[5-(2,4-difluorohexa-2,4-dien-3-yl)-1H-indol-3-yl]pyrazin-2-yl]piperidin-4-amine

1-[6-[5-(2,4-difluorohexa-2,4-dien-3-yl)-1H-indol-3-yl]pyrazin-2-yl]piperidin-4-amine (PubChem CID 123503153) has the molecular formula C23H25F2N5 and a molecular weight of 409.48 g/mol. Its IUPAC name is 1-[6-[5-(2,4-difluorohexa-2,4-dien-3-yl)-1H-indol-3-yl]pyrazin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[6-[5-(2,4-difluorohexa-2,4-dien-3-yl)-1H-indol-3-yl]pyrazin-2-yl]piperidin-4-amine
PubChem CID123503153
Molecular FormulaC23H25F2N5
Molecular Weight409.48 g/mol
Exact Mass409.21
IUPAC Name1-[6-[5-(2,4-difluorohexa-2,4-dien-3-yl)-1H-indol-3-yl]pyrazin-2-yl]piperidin-4-amine
SMILESCC=C(F)C(=C(C)F)c1ccc2[nH]cc(-c3cncc(N4CCC(N)CC4)n3)c2c1
InChIInChI=1S/C23H25F2N5/c1-3-19(25)23(14(2)24)15-4-5-20-17(10-15)18(11-28-20)21-12-27-13-22(29-21)30-8-6-16(26)7-9-30/h3-5,10-13,16,28H,6-9,26H2,1-2H3
InChIKeyQZQDVJZKAYPSTR-UHFFFAOYSA-N
XLogP5.13
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.48
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide
CID 67960112
1-[6-[5-(3-fluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 67959669
1-[6-(5-quinoxalin-6-yl-1H-indazol-3-yl)pyrazin-2-yl]piperidin-4-amine
CID 67959936
1-[6-[5-(5-ethenyl-2-methoxy-6-methyl-3-pyridinyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 123670336
3-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indazol-5-yl]-N,N-diethyl-2-fluorobenzamide
CID 67959634
N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-inden-5-yl]propanamide
CID 159192737
1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 67959941
1-[5-[5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]piperidin-4-amine
CID 67960184
1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine
CID 71253272
(4-aminopiperidin-1-yl)-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 119374279
4-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]benzoic acid
CID 163271924
1-[4-[6-(5-methyl-1H-indol-3-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 90145373

Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(2,4-difluorohexa-2,4-dien-3-yl)-1H-indol-3-yl]pyrazin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[6-[5-(2,4-difluorohexa-2,4-dien-3-yl)-1H-indol-3-yl]pyrazin-2-yl]piperidin-4-amine (CID 123503153) is 1-[6-[5-(2,4-difluorohexa-2,4-dien-3-yl)-1H-indol-3-yl]pyrazin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[6-[5-(2,4-difluorohexa-2,4-dien-3-yl)-1H-indol-3-yl]pyrazin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[6-[5-(2,4-difluorohexa-2,4-dien-3-yl)-1H-indol-3-yl]pyrazin-2-yl]piperidin-4-amine is CC=C(F)C(=C(C)F)c1ccc2[nH]cc(-c3cncc(N4CCC(N)CC4)n3)c2c1.
What is the InChIKey of 1-[6-[5-(2,4-difluorohexa-2,4-dien-3-yl)-1H-indol-3-yl]pyrazin-2-yl]piperidin-4-amine?
The InChIKey is QZQDVJZKAYPSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5/c1-3-19(25)23(14(2)24)15-4-5-20-17(10-15)18(11-28-20)21-12-27-13-22(29-21)30-8-6-16(26)7-9-30/h3-5,10-13,16,28H,6-9,26H2,1-2H3.
What are the key properties of 1-[6-[5-(2,4-difluorohexa-2,4-dien-3-yl)-1H-indol-3-yl]pyrazin-2-yl]piperidin-4-amine?
1-[6-[5-(2,4-difluorohexa-2,4-dien-3-yl)-1H-indol-3-yl]pyrazin-2-yl]piperidin-4-amine has a molecular weight of 409.48 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(2,4-difluorohexa-2,4-dien-3-yl)-1H-indol-3-yl]pyrazin-2-yl]piperidin-4-amine is sourced from PubChem (CID 123503153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).