N-methyl-5-morpholin-4-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine

C20H25N7O3S — CID 56848945

IUPACN-methyl-5-morpholin-4-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine
SMILESCN(c1ccc(S(=O)(=O)N2CCOCC2)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C20H25N7O3S/c1-25(15-5-7-26(13-15)20-17-4-6-21-19(17)23-14-24-20)18-3-2-16(12-22-18)31(28,29)27-8-10-30-11-9-27/h2-4,6,12,14-15H,5,7-11,13H2,1H3,(H,21,23,24)/t15-/m1/s1
InChIKeyZIVFIOZGFUJVGQ-OAHLLOKOSA-N
MW443.53 g/mol
LogP1.09
Rot. Bonds5

About N-methyl-5-morpholin-4-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine

N-methyl-5-morpholin-4-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine (PubChem CID 56848945) has the molecular formula C20H25N7O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-methyl-5-morpholin-4-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-morpholin-4-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine
PubChem CID56848945
Molecular FormulaC20H25N7O3S
Molecular Weight443.53 g/mol
Exact Mass443.17
IUPAC NameN-methyl-5-morpholin-4-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine
SMILESCN(c1ccc(S(=O)(=O)N2CCOCC2)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C20H25N7O3S/c1-25(15-5-7-26(13-15)20-17-4-6-21-19(17)23-14-24-20)18-3-2-16(12-22-18)31(28,29)27-8-10-30-11-9-27/h2-4,6,12,14-15H,5,7-11,13H2,1H3,(H,21,23,24)/t15-/m1/s1
InChIKeyZIVFIOZGFUJVGQ-OAHLLOKOSA-N
XLogP1.09
TPSA107.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-methyl-5-morpholin-4-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ceralasertib
CID 54761306
3-[(5-Bromo-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)amino]-N-Methyl-4-(Morpholin-4-Yl)benzenesulfonamide
CID 70648683
3-[(5-Chloro-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)amino]-N-Methyl-4-(Morpholin-4-Yl)benzenesulfonamide
CID 70649546
4-cyano-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]pyridine-2-sulfonamide
CID 78324135
5-(7-methanesulfonyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine
CID 44183094
(S)-N''-cyano-N-(3-(N-(2-hydroxyethyl)sulfamoyl)phenyl)-2-methyl-4-(5-methyl-7Hpyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboximidamide
CID 25186125
(S)-N''-cyano-N-(3-(N-isopropylsulfamoyl)phenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboximidamide
CID 25186126
N-methyl-3-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-morpholin-4-ylbenzenesulfonamide
CID 54675336
N-methyl-4-piperidin-1-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide
CID 54675448
(S)-Ceralasertib
CID 54761305
4-[6-(methylsulfonylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine
CID 58137055
3-[1-(Benzenesulfonyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58395300

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-morpholin-4-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of N-methyl-5-morpholin-4-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine (CID 56848945) is N-methyl-5-morpholin-4-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-methyl-5-morpholin-4-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for N-methyl-5-morpholin-4-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine is CN(c1ccc(S(=O)(=O)N2CCOCC2)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1.
What is the InChIKey of N-methyl-5-morpholin-4-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is ZIVFIOZGFUJVGQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N7O3S/c1-25(15-5-7-26(13-15)20-17-4-6-21-19(17)23-14-24-20)18-3-2-16(12-22-18)31(28,29)27-8-10-30-11-9-27/h2-4,6,12,14-15H,5,7-11,13H2,1H3,(H,21,23,24)/t15-/m1/s1.
What are the key properties of N-methyl-5-morpholin-4-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine?
N-methyl-5-morpholin-4-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 443.53 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-morpholin-4-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 56848945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).