(2R)-2-amino-2-cyclohexyl-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]ethanone

C20H29N5O — CID 143833323

IUPAC(2R)-2-amino-2-cyclohexyl-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]ethanone
SMILESCc1cnc2[nH]ccc2c1N1CCN(C(=O)[C@H](N)C2CCCCC2)CC1
InChIInChI=1S/C20H29N5O/c1-14-13-23-19-16(7-8-22-19)18(14)24-9-11-25(12-10-24)20(26)17(21)15-5-3-2-4-6-15/h7-8,13,15,17H,2-6,9-12,21H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyGMTVAIARNPWRFU-QGZVFWFLSA-N
MW355.49 g/mol
LogP2.43
Rot. Bonds3

About (2R)-2-amino-2-cyclohexyl-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]ethanone

(2R)-2-amino-2-cyclohexyl-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]ethanone (PubChem CID 143833323) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is (2R)-2-amino-2-cyclohexyl-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name(2R)-2-amino-2-cyclohexyl-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]ethanone
PubChem CID143833323
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name(2R)-2-amino-2-cyclohexyl-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]ethanone
SMILESCc1cnc2[nH]ccc2c1N1CCN(C(=O)[C@H](N)C2CCCCC2)CC1
InChIInChI=1S/C20H29N5O/c1-14-13-23-19-16(7-8-22-19)18(14)24-9-11-25(12-10-24)20(26)17(21)15-5-3-2-4-6-15/h7-8,13,15,17H,2-6,9-12,21H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyGMTVAIARNPWRFU-QGZVFWFLSA-N
XLogP2.43
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-2-cyclohexylethanone
CID 68762031
2-(4-chlorophenyl)-3-(propan-2-ylamino)-1-[4-(5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]propan-1-one
CID 68783106
(2S)-1-[4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-2-(4-chlorophenyl)propan-1-one
CID 174623019
3-[(3R)-3-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
CID 162174537
(2S)-2-(4-chlorophenyl)-1-[4-[5-(2-methyl-3,4-dihydropyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 70665731
[1-[4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]carbamic acid
CID 68759533
2-(4-chlorophenyl)-1-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 68760832
3-[4-[4-[(2S)-2-(4-iodophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 70665755
2-amino-2-cyclohexyl-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 176578739
(2S)-2-(4-chlorophenyl)-1-[4-[5-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;dihydrochloride
CID 68782573
[2-(4-chlorophenyl)-3-oxo-3-[4-(5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]propyl]-propan-2-ylcarbamic acid
CID 68760509
2-(4-chlorophenyl)-1-[4-[5-[4-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;dihydrochloride
CID 68779872

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-cyclohexyl-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of (2R)-2-amino-2-cyclohexyl-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]ethanone (CID 143833323) is (2R)-2-amino-2-cyclohexyl-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for (2R)-2-amino-2-cyclohexyl-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for (2R)-2-amino-2-cyclohexyl-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]ethanone is Cc1cnc2[nH]ccc2c1N1CCN(C(=O)[C@H](N)C2CCCCC2)CC1.
What is the InChIKey of (2R)-2-amino-2-cyclohexyl-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is GMTVAIARNPWRFU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N5O/c1-14-13-23-19-16(7-8-22-19)18(14)24-9-11-25(12-10-24)20(26)17(21)15-5-3-2-4-6-15/h7-8,13,15,17H,2-6,9-12,21H2,1H3,(H,22,23)/t17-/m1/s1.
What are the key properties of (2R)-2-amino-2-cyclohexyl-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]ethanone?
(2R)-2-amino-2-cyclohexyl-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 355.49 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-cyclohexyl-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 143833323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).