N-[6-[2-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

C20H19F2N5O3S — CID 118363483

IUPACN-[6-[2-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2cc(-c3csc(C(=O)N4CC(F)(F)C[C@H]4CO)n3)ccc2n1)C1CC1
InChIInChI=1S/C20H19F2N5O3S/c21-20(22)5-13(8-28)27(10-20)19(30)18-23-14(9-31-18)12-3-4-16-24-15(7-26(16)6-12)25-17(29)11-1-2-11/h3-4,6-7,9,11,13,28H,1-2,5,8,10H2,(H,25,29)/t13-/m0/s1
InChIKeyZSWAHZODJXFVNM-ZDUSSCGKSA-N
MW447.47 g/mol
LogP2.65
Rot. Bonds5

About N-[6-[2-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

N-[6-[2-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 118363483) has the molecular formula C20H19F2N5O3S and a molecular weight of 447.47 g/mol. Its IUPAC name is N-[6-[2-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[2-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID118363483
Molecular FormulaC20H19F2N5O3S
Molecular Weight447.47 g/mol
Exact Mass447.12
IUPAC NameN-[6-[2-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2cc(-c3csc(C(=O)N4CC(F)(F)C[C@H]4CO)n3)ccc2n1)C1CC1
InChIInChI=1S/C20H19F2N5O3S/c21-20(22)5-13(8-28)27(10-20)19(30)18-23-14(9-31-18)12-3-4-16-24-15(7-26(16)6-12)25-17(29)11-1-2-11/h3-4,6-7,9,11,13,28H,1-2,5,8,10H2,(H,25,29)/t13-/m0/s1
InChIKeyZSWAHZODJXFVNM-ZDUSSCGKSA-N
XLogP2.65
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[2-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (CID 118363483) is N-[6-[2-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[2-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[2-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1cn2cc(-c3csc(C(=O)N4CC(F)(F)C[C@H]4CO)n3)ccc2n1)C1CC1.
What is the InChIKey of N-[6-[2-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is ZSWAHZODJXFVNM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19F2N5O3S/c21-20(22)5-13(8-28)27(10-20)19(30)18-23-14(9-31-18)12-3-4-16-24-15(7-26(16)6-12)25-17(29)11-1-2-11/h3-4,6-7,9,11,13,28H,1-2,5,8,10H2,(H,25,29)/t13-/m0/s1.
What are the key properties of N-[6-[2-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[6-[2-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 447.47 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 118363483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).