N-(4-morpholin-4-ylsulfonylphenyl)-4-(5-piperazin-1-yl-1H-pyrrol-2-yl)pyridin-2-amine

C23H28N6O3S — CID 141199775

IUPACN-(4-morpholin-4-ylsulfonylphenyl)-4-(5-piperazin-1-yl-1H-pyrrol-2-yl)pyridin-2-amine
SMILESO=S(=O)(c1ccc(Nc2cc(-c3ccc(N4CCNCC4)[nH]3)ccn2)cc1)N1CCOCC1
InChIInChI=1S/C23H28N6O3S/c30-33(31,29-13-15-32-16-14-29)20-3-1-19(2-4-20)26-22-17-18(7-8-25-22)21-5-6-23(27-21)28-11-9-24-10-12-28/h1-8,17,24,27H,9-16H2,(H,25,26)
InChIKeyJQJPUSLAFVHQIO-UHFFFAOYSA-N
MW468.58 g/mol
LogP2.25
Rot. Bonds6

About N-(4-morpholin-4-ylsulfonylphenyl)-4-(5-piperazin-1-yl-1H-pyrrol-2-yl)pyridin-2-amine

N-(4-morpholin-4-ylsulfonylphenyl)-4-(5-piperazin-1-yl-1H-pyrrol-2-yl)pyridin-2-amine (PubChem CID 141199775) has the molecular formula C23H28N6O3S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)-4-(5-piperazin-1-yl-1H-pyrrol-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)-4-(5-piperazin-1-yl-1H-pyrrol-2-yl)pyridin-2-amine
PubChem CID141199775
Molecular FormulaC23H28N6O3S
Molecular Weight468.58 g/mol
Exact Mass468.19
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)-4-(5-piperazin-1-yl-1H-pyrrol-2-yl)pyridin-2-amine
SMILESO=S(=O)(c1ccc(Nc2cc(-c3ccc(N4CCNCC4)[nH]3)ccn2)cc1)N1CCOCC1
InChIInChI=1S/C23H28N6O3S/c30-33(31,29-13-15-32-16-14-29)20-3-1-19(2-4-20)26-22-17-18(7-8-25-22)21-5-6-23(27-21)28-11-9-24-10-12-28/h1-8,17,24,27H,9-16H2,(H,25,26)
InChIKeyJQJPUSLAFVHQIO-UHFFFAOYSA-N
XLogP2.25
TPSA102.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-bromo-N-(4-piperazin-1-ylsulfonylphenyl)pyridin-2-amine
CID 166063490
5-[2-(3-morpholin-4-ylsulfonylanilino)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 24962286
5-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile
CID 24962285
N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268105
4-(4-methylphenyl)sulfonyl-1,4,7-oxadiazonane
CID 11098087
4,7,10,19-tetrakis-(4-methylphenyl)sulfonyl-1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane
CID 15094039
N-(2H-benzotriazol-5-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine
CID 134154155
4,12-bis-(4-methylphenyl)sulfonyl-1-oxa-4,8,12-triazacyclotetradecane
CID 10839404
4-[[5-(3-morpholin-4-ylphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
CID 6539631
4-morpholin-4-ylsulfonyl-N-(2-pyridin-4-ylethyl)aniline
CID 139019834
N-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 82513961
[3-[4-(5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone
CID 141199773

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-4-(5-piperazin-1-yl-1H-pyrrol-2-yl)pyridin-2-amine?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-4-(5-piperazin-1-yl-1H-pyrrol-2-yl)pyridin-2-amine (CID 141199775) is N-(4-morpholin-4-ylsulfonylphenyl)-4-(5-piperazin-1-yl-1H-pyrrol-2-yl)pyridin-2-amine.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)-4-(5-piperazin-1-yl-1H-pyrrol-2-yl)pyridin-2-amine?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)-4-(5-piperazin-1-yl-1H-pyrrol-2-yl)pyridin-2-amine is O=S(=O)(c1ccc(Nc2cc(-c3ccc(N4CCNCC4)[nH]3)ccn2)cc1)N1CCOCC1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)-4-(5-piperazin-1-yl-1H-pyrrol-2-yl)pyridin-2-amine?
The InChIKey is JQJPUSLAFVHQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3S/c30-33(31,29-13-15-32-16-14-29)20-3-1-19(2-4-20)26-22-17-18(7-8-25-22)21-5-6-23(27-21)28-11-9-24-10-12-28/h1-8,17,24,27H,9-16H2,(H,25,26).
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)-4-(5-piperazin-1-yl-1H-pyrrol-2-yl)pyridin-2-amine?
N-(4-morpholin-4-ylsulfonylphenyl)-4-(5-piperazin-1-yl-1H-pyrrol-2-yl)pyridin-2-amine has a molecular weight of 468.58 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylsulfonylphenyl)-4-(5-piperazin-1-yl-1H-pyrrol-2-yl)pyridin-2-amine is sourced from PubChem (CID 141199775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).