N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-amine

C26H24N8OS — CID 158343043

IUPACN-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESC1=C(c2ccco2)CN=C1Nc1nc(Sc2ccccc2)nc(N2CCN(c3ccncc3)CC2)n1
InChIInChI=1S/C26H24N8OS/c1-2-5-21(6-3-1)36-26-31-24(29-23-17-19(18-28-23)22-7-4-16-35-22)30-25(32-26)34-14-12-33(13-15-34)20-8-10-27-11-9-20/h1-11,16-17H,12-15,18H2,(H,28,29,30,31,32)
InChIKeyRKJNBXZLZLIVCJ-UHFFFAOYSA-N
MW496.60 g/mol
LogP4.24
Rot. Bonds6

About N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-amine

N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 158343043) has the molecular formula C26H24N8OS and a molecular weight of 496.60 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID158343043
Molecular FormulaC26H24N8OS
Molecular Weight496.60 g/mol
Exact Mass496.18
IUPAC NameN-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESC1=C(c2ccco2)CN=C1Nc1nc(Sc2ccccc2)nc(N2CCN(c3ccncc3)CC2)n1
InChIInChI=1S/C26H24N8OS/c1-2-5-21(6-3-1)36-26-31-24(29-23-17-19(18-28-23)22-7-4-16-35-22)30-25(32-26)34-14-12-33(13-15-34)20-8-10-27-11-9-20/h1-11,16-17H,12-15,18H2,(H,28,29,30,31,32)
InChIKeyRKJNBXZLZLIVCJ-UHFFFAOYSA-N
XLogP4.24
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.60
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

6-(furan-3-yl)-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
CID 66777328
{5-(2-Furanyl)-2-[(4-pyridylmethyl)amino)pyrimidin-4-yl}[1-benzyl(4-piperidyl)]amine
CID 69048883
{5-(2-Furanyl)-2-[(2-pyridylmethyl)amino)pyrimidin-4-yl}[1-benzyl(4-piperidyl)]amine
CID 69782968
2-amino-N-[2-[[5-(furan-2-yl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfanyl]-4-pyridinyl]acetamide
CID 122526792
5-(furan-2-yl)-4-methyl-N-[4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]pyrazolidin-3-imine
CID 136629057
4-[4-(furan-2-yl)-2-piperazin-1-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)thiophen-3-yl]triazine
CID 140999265
(E)-5-(furan-2-yl)-N-[4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]pyrazolidin-3-imine
CID 144106320
4-(Furan-2-ylmethylsulfanyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazoline
CID 21004386
6-ethyl-N-[2-(furan-2-yl)ethyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 91965343
N-[2-(furan-2-yl)ethyl]-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 91965673
1'-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]
CID 92407814
1-[2-(Furan-2-yl)ethyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 110051705

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 158343043) is N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-amine is C1=C(c2ccco2)CN=C1Nc1nc(Sc2ccccc2)nc(N2CCN(c3ccncc3)CC2)n1.
What is the InChIKey of N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is RKJNBXZLZLIVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8OS/c1-2-5-21(6-3-1)36-26-31-24(29-23-17-19(18-28-23)22-7-4-16-35-22)30-25(32-26)34-14-12-33(13-15-34)20-8-10-27-11-9-20/h1-11,16-17H,12-15,18H2,(H,28,29,30,31,32).
What are the key properties of N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-amine?
N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 496.60 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 158343043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).