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

C19H23N5OS — CID 58051589

IUPAC1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-(1,3-thiazol-2-yl)ethanone
SMILESC[C@@H]1CCN(C(=O)Cc2nccs2)CC1N(C)c1ccnc2[nH]ccc12
InChIInChI=1S/C19H23N5OS/c1-13-5-9-24(18(25)11-17-20-8-10-26-17)12-16(13)23(2)15-4-7-22-19-14(15)3-6-21-19/h3-4,6-8,10,13,16H,5,9,11-12H2,1-2H3,(H,21,22)/t13-,16?/m1/s1
InChIKeyLZIJFBZHWLIQRX-JBZHPUCOSA-N
MW369.49 g/mol
LogP2.94
Rot. Bonds4

About 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

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 (PubChem CID 58051589) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-(1,3-thiazol-2-yl)ethanone
PubChem CID58051589
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-(1,3-thiazol-2-yl)ethanone
SMILESC[C@@H]1CCN(C(=O)Cc2nccs2)CC1N(C)c1ccnc2[nH]ccc12
InChIInChI=1S/C19H23N5OS/c1-13-5-9-24(18(25)11-17-20-8-10-26-17)12-16(13)23(2)15-4-7-22-19-14(15)3-6-21-19/h3-4,6-8,10,13,16H,5,9,11-12H2,1-2H3,(H,21,22)/t13-,16?/m1/s1
InChIKeyLZIJFBZHWLIQRX-JBZHPUCOSA-N
XLogP2.94
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1CCN(C(=O)Cc2nccs2)CC1N(C)c1ccnc2[nH]ccc12.
What is the InChIKey of 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?
The InChIKey is LZIJFBZHWLIQRX-JBZHPUCOSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-13-5-9-24(18(25)11-17-20-8-10-26-17)12-16(13)23(2)15-4-7-22-19-14(15)3-6-21-19/h3-4,6-8,10,13,16H,5,9,11-12H2,1-2H3,(H,21,22)/t13-,16?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 369.49 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58051589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).