N-[5-[[3-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C19H23N5OS — CID 135137691

IUPACN-[5-[[3-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(Cc3cc4cnccc4n3C)C2)s1
InChIInChI=1S/C19H23N5OS/c1-13(25)22-19-21-10-17(26-19)12-24-6-4-14(11-24)7-16-8-15-9-20-5-3-18(15)23(16)2/h3,5,8-10,14H,4,6-7,11-12H2,1-2H3,(H,21,22,25)
InChIKeyXXFPMOYZTYYLJK-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.05
Rot. Bonds5

About N-[5-[[3-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[3-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 135137691) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[5-[[3-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID135137691
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-[5-[[3-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(Cc3cc4cnccc4n3C)C2)s1
InChIInChI=1S/C19H23N5OS/c1-13(25)22-19-21-10-17(26-19)12-24-6-4-14(11-24)7-16-8-15-9-20-5-3-18(15)23(16)2/h3,5,8-10,14H,4,6-7,11-12H2,1-2H3,(H,21,22,25)
InChIKeyXXFPMOYZTYYLJK-UHFFFAOYSA-N
XLogP3.05
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 135137691) is N-[5-[[3-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(Cc3cc4cnccc4n3C)C2)s1.
What is the InChIKey of N-[5-[[3-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XXFPMOYZTYYLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-13(25)22-19-21-10-17(26-19)12-24-6-4-14(11-24)7-16-8-15-9-20-5-3-18(15)23(16)2/h3,5,8-10,14H,4,6-7,11-12H2,1-2H3,(H,21,22,25).
What are the key properties of N-[5-[[3-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 369.49 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 135137691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).