cyclopropyl-[(3R)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone

C17H22N4O — CID 134271151

IUPACcyclopropyl-[(3R)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone
SMILESCN(c1ccnc2[nH]ccc12)[C@@H]1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C17H22N4O/c1-20(15-7-9-19-16-14(15)6-8-18-16)13-3-2-10-21(11-13)17(22)12-4-5-12/h6-9,12-13H,2-5,10-11H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyDNMCBGCBYZZONG-CYBMUJFWSA-N
MW298.39 g/mol
LogP2.40
Rot. Bonds3

About cyclopropyl-[(3R)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone

cyclopropyl-[(3R)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone (PubChem CID 134271151) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is cyclopropyl-[(3R)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3R)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone
PubChem CID134271151
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Namecyclopropyl-[(3R)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone
SMILESCN(c1ccnc2[nH]ccc12)[C@@H]1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C17H22N4O/c1-20(15-7-9-19-16-14(15)6-8-18-16)13-3-2-10-21(11-13)17(22)12-4-5-12/h6-9,12-13H,2-5,10-11H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyDNMCBGCBYZZONG-CYBMUJFWSA-N
XLogP2.40
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclopropyl-[(3R)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone with MolForge

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Related Compounds

N-methyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 134271150
methyl (4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate
CID 59659083
(3R,4R)-4-methyl-N-(4-methylphenyl)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide
CID 66662880
1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]butan-1-one
CID 58051593
cyclopropyl-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63090748
3,3,3-trifluoro-1-[4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 73050335
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-(4-methyl-1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 73040573
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
1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-(1,3-thiazol-2-yl)ethanone
CID 58051589
(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 11509386

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3R)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone (CID 134271151) is cyclopropyl-[(3R)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3R)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3R)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone is CN(c1ccnc2[nH]ccc12)[C@@H]1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of cyclopropyl-[(3R)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone?
The InChIKey is DNMCBGCBYZZONG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N4O/c1-20(15-7-9-19-16-14(15)6-8-18-16)13-3-2-10-21(11-13)17(22)12-4-5-12/h6-9,12-13H,2-5,10-11H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of cyclopropyl-[(3R)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone?
cyclopropyl-[(3R)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone has a molecular weight of 298.39 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3R)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 134271151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).