N-methyl-N-[(4R)-4-methyl-1-(pyridin-2-ylmethylsulfonyl)piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine

C20H25N5O2S — CID 59659121

IUPACN-methyl-N-[(4R)-4-methyl-1-(pyridin-2-ylmethylsulfonyl)piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESC[C@@H]1CCN(S(=O)(=O)Cc2ccccn2)CC1N(C)c1ccnc2[nH]ccc12
InChIInChI=1S/C20H25N5O2S/c1-15-8-12-25(28(26,27)14-16-5-3-4-9-21-16)13-19(15)24(2)18-7-11-23-20-17(18)6-10-22-20/h3-7,9-11,15,19H,8,12-14H2,1-2H3,(H,22,23)/t15-,19?/m1/s1
InChIKeyWXWJATZJTHOOQG-NYRJJRHWSA-N
MW399.52 g/mol
LogP2.63
Rot. Bonds5

About N-methyl-N-[(4R)-4-methyl-1-(pyridin-2-ylmethylsulfonyl)piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine

N-methyl-N-[(4R)-4-methyl-1-(pyridin-2-ylmethylsulfonyl)piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 59659121) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-methyl-N-[(4R)-4-methyl-1-(pyridin-2-ylmethylsulfonyl)piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(4R)-4-methyl-1-(pyridin-2-ylmethylsulfonyl)piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID59659121
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC NameN-methyl-N-[(4R)-4-methyl-1-(pyridin-2-ylmethylsulfonyl)piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESC[C@@H]1CCN(S(=O)(=O)Cc2ccccn2)CC1N(C)c1ccnc2[nH]ccc12
InChIInChI=1S/C20H25N5O2S/c1-15-8-12-25(28(26,27)14-16-5-3-4-9-21-16)13-19(15)24(2)18-7-11-23-20-17(18)6-10-22-20/h3-7,9-11,15,19H,8,12-14H2,1-2H3,(H,22,23)/t15-,19?/m1/s1
InChIKeyWXWJATZJTHOOQG-NYRJJRHWSA-N
XLogP2.63
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[(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
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
(3R,4R)-N-benzyl-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide
CID 11703555
1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]butan-1-one
CID 58051593
methyl (4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate
CID 59659083
2,3-dihydroindol-1-yl-[(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone
CID 11509352
N-methyl-N-[(3R,4R)-4-methyl-1-propylsulfonylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 11473598
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)-4-methyl-N-(4-methylphenyl)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide
CID 66662880

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4R)-4-methyl-1-(pyridin-2-ylmethylsulfonyl)piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-methyl-N-[(4R)-4-methyl-1-(pyridin-2-ylmethylsulfonyl)piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 59659121) is N-methyl-N-[(4R)-4-methyl-1-(pyridin-2-ylmethylsulfonyl)piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-methyl-N-[(4R)-4-methyl-1-(pyridin-2-ylmethylsulfonyl)piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-methyl-N-[(4R)-4-methyl-1-(pyridin-2-ylmethylsulfonyl)piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine is C[C@@H]1CCN(S(=O)(=O)Cc2ccccn2)CC1N(C)c1ccnc2[nH]ccc12.
What is the InChIKey of N-methyl-N-[(4R)-4-methyl-1-(pyridin-2-ylmethylsulfonyl)piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is WXWJATZJTHOOQG-NYRJJRHWSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-15-8-12-25(28(26,27)14-16-5-3-4-9-21-16)13-19(15)24(2)18-7-11-23-20-17(18)6-10-22-20/h3-7,9-11,15,19H,8,12-14H2,1-2H3,(H,22,23)/t15-,19?/m1/s1.
What are the key properties of N-methyl-N-[(4R)-4-methyl-1-(pyridin-2-ylmethylsulfonyl)piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
N-methyl-N-[(4R)-4-methyl-1-(pyridin-2-ylmethylsulfonyl)piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 399.52 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4R)-4-methyl-1-(pyridin-2-ylmethylsulfonyl)piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 59659121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).