N-[(4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylpiperidin-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-4-amine

C19H25N5O3S — CID 59659125

IUPACN-[(4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylpiperidin-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCc1noc(C)c1S(=O)(=O)N1CC[C@@H](C)C(N(C)c2ccnc3[nH]ccc23)C1
InChIInChI=1S/C19H25N5O3S/c1-12-7-10-24(28(25,26)18-13(2)22-27-14(18)3)11-17(12)23(4)16-6-9-21-19-15(16)5-8-20-19/h5-6,8-9,12,17H,7,10-11H2,1-4H3,(H,20,21)/t12-,17?/m1/s1
InChIKeyVSCIGHNFPYNEIX-MTATWXBHSA-N
MW403.51 g/mol
LogP2.70
Rot. Bonds4

About N-[(4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylpiperidin-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-4-amine

N-[(4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylpiperidin-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 59659125) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[(4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylpiperidin-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-[(4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylpiperidin-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID59659125
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC NameN-[(4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylpiperidin-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCc1noc(C)c1S(=O)(=O)N1CC[C@@H](C)C(N(C)c2ccnc3[nH]ccc23)C1
InChIInChI=1S/C19H25N5O3S/c1-12-7-10-24(28(25,26)18-13(2)22-27-14(18)3)11-17(12)23(4)16-6-9-21-19-15(16)5-8-20-19/h5-6,8-9,12,17H,7,10-11H2,1-4H3,(H,20,21)/t12-,17?/m1/s1
InChIKeyVSCIGHNFPYNEIX-MTATWXBHSA-N
XLogP2.70
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylpiperidin-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-4-amine with MolForge

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Related Compounds

N-methyl-N-(4-methyl-1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 73040573
N-methyl-N-[(4R)-4-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 59659160
4-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]sulfonylbenzonitrile
CID 59659087
N-methyl-N-[(4R)-4-methyl-1-(pyridin-2-ylmethylsulfonyl)piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 59659121
N-methyl-N-[(4R)-4-methyl-1-(5-pyridin-3-ylthiophen-2-yl)sulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 59659122
1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]butan-1-one
CID 58051593
(3R,4R)-4-methyl-N-(4-methylphenyl)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide
CID 66662880
methane;3-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
CID 159108542
(3R,4R)-N-benzyl-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide
CID 11703555
N-methyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 134271150
1-[4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 73018908
N-methyl-N-[(3R,4R)-4-methyl-1-propylsulfonylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 11473598

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylpiperidin-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-[(4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylpiperidin-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 59659125) is N-[(4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylpiperidin-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-[(4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylpiperidin-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-[(4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylpiperidin-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-4-amine is Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](C)C(N(C)c2ccnc3[nH]ccc23)C1.
What is the InChIKey of N-[(4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylpiperidin-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is VSCIGHNFPYNEIX-MTATWXBHSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-12-7-10-24(28(25,26)18-13(2)22-27-14(18)3)11-17(12)23(4)16-6-9-21-19-15(16)5-8-20-19/h5-6,8-9,12,17H,7,10-11H2,1-4H3,(H,20,21)/t12-,17?/m1/s1.
What are the key properties of N-[(4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylpiperidin-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
N-[(4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylpiperidin-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 403.51 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylpiperidin-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 59659125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).