N-[5-[[3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C19H23N5OS — CID 142415604

IUPACN-[5-[[3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(c3cc4cc[nH]c4nc3C)C2)s1
InChIInChI=1S/C19H23N5OS/c1-12-17(8-14-5-6-20-18(14)22-12)15-4-3-7-24(10-15)11-16-9-21-19(26-16)23-13(2)25/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3,(H,20,22)(H,21,23,25)
InChIKeyZXSRENBVTXVKFS-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.67
Rot. Bonds4

About N-[5-[[3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 142415604) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[5-[[3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID142415604
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-[5-[[3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(c3cc4cc[nH]c4nc3C)C2)s1
InChIInChI=1S/C19H23N5OS/c1-12-17(8-14-5-6-20-18(14)22-12)15-4-3-7-24(10-15)11-16-9-21-19(26-16)23-13(2)25/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3,(H,20,22)(H,21,23,25)
InChIKeyZXSRENBVTXVKFS-UHFFFAOYSA-N
XLogP3.67
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 142415604) is N-[5-[[3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCCC(c3cc4cc[nH]c4nc3C)C2)s1.
What is the InChIKey of N-[5-[[3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZXSRENBVTXVKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-12-17(8-14-5-6-20-18(14)22-12)15-4-3-7-24(10-15)11-16-9-21-19(26-16)23-13(2)25/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3,(H,20,22)(H,21,23,25).
What are the key properties of N-[5-[[3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 369.49 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 142415604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).